(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid

C15H13ClN2O3 — CID 104897065

IUPAC(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
SMILESO=C(Nc1ccccc1Cl)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c16-11-8-4-5-9-12(11)17-15(21)18-13(14(19)20)10-6-2-1-3-7-10/h1-9,13H,(H,19,20)(H2,17,18,21)/t13-/m0/s1
InChIKeySEHQPJNMXDYKPT-ZDUSSCGKSA-N
MW304.73 g/mol
LogP3.29
Rot. Bonds4

About (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid

(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid (PubChem CID 104897065) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
PubChem CID104897065
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
SMILESO=C(Nc1ccccc1Cl)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c16-11-8-4-5-9-12(11)17-15(21)18-13(14(19)20)10-6-2-1-3-7-10/h1-9,13H,(H,19,20)(H2,17,18,21)/t13-/m0/s1
InChIKeySEHQPJNMXDYKPT-ZDUSSCGKSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
CID 51168657
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid (CID 104897065) is (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid is O=C(Nc1ccccc1Cl)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is SEHQPJNMXDYKPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-8-4-5-9-12(11)17-15(21)18-13(14(19)20)10-6-2-1-3-7-10/h1-9,13H,(H,19,20)(H2,17,18,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid?
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 304.73 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 104897065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).