Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as substituted anilines. These are organic compound containing an aniline group substituted at one or more positions.

Substituted anilines

Organic compounds


Benzene and substituted derivatives


Calculated Property

kind Value Source
logP 0.46 ALOGPS
logS -1.8 ALOGPS
Water Solubility 4.97e+00 g/l ALOGPS
logP 0.11 ChemAxon
IUPAC Name N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide ChemAxon
Traditional IUPAC Name N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide ChemAxon
Molecular Weight 293.146 ChemAxon
Monoisotopic Weight 292.038147738 ChemAxon
SMILES [H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(N)C=C1 ChemAxon
Molecular Formula C11H14Cl2N2O3 ChemAxon
InChI InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1 ChemAxon
Polar Surface Area (PSA) 95.58 ChemAxon
Refractivity 70.58 ChemAxon
Polarizability 27.08 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 8.23 ChemAxon
pKa (strongest basic) 3.95 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Chloramphenicol 3-O phosphotransferase : in Streptomyces venezuelae (strain ATCC 10712 / CBS 650.69 / DSM 40230 / JCM 4526 / NBRC 13096 / PD 04745)