Metabolite Chloramphenicol Aryl Amide
- Name
- Chloramphenicol Aryl Amide
- Description
- Not Available
- Structure
Structure for Chloramphenicol Aryl Amide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 224.26
Monoisotopic: 224.116092383 - Chemical Formula
- C11H16N2O3
- InChI Key
- QYVYTUPZVUWRIM-GHMZBOCLSA-N
- InChI
- InChI=1S/C11H16N2O3/c1-7(15)13-9-4-2-8(3-5-9)11(16)10(12)6-14/h2-5,10-11,14,16H,6,12H2,1H3,(H,13,15)/t10-,11-/m1/s1
- IUPAC Name
- N-{4-[(1R,2R)-2-amino-1,3-dihydroxypropyl]phenyl}acetamide
- SMILES
- CC(=O)NC1=CC=C(C=C1)[C@@H](O)[C@H](N)CO
- Reactions
- Chloramphenicol succinate Chloramphenicol
- Chloramphenicol Chloramphenicol Sulfate
- Chloramphenicol Chloramphenicol Phosphate
- Chloramphenicol Chloramphenicol 3-acetate
- Chloramphenicol Chloramphenicol Alcohol
- Chloramphenicol Chloramphenicol Oxamic Acid
- Chloramphenicol Chloramphenicol Aryl Amine
- Chloramphenicol Chloramphenicol Base
- Chloramphenicol Chloramphenicol Glucuronide
- Chloramphenicol succinate Chloramphenicol
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.90683 predictedDeepCCS 1.0 (2019) [M+H]+ 155.30238 predictedDeepCCS 1.0 (2019) [M+Na]+ 161.55956 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 65514811
- Predicted Properties
Property Value Source Water Solubility 14.3 mg/mL ALOGPS logP -0.61 ALOGPS logP -0.92 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 13.67 Chemaxon pKa (Strongest Basic) 8.82 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 95.58 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 61.32 m3·mol-1 Chemaxon Polarizability 23.9 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon