2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid

C15H13ClN2O3 — CID 61157313

IUPAC2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
SMILESNc1cc(C(=O)NC(C(=O)O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-11-7-6-10(8-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19)(H,20,21)
InChIKeyILTNLTHPORJYRE-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.48
Rot. Bonds4

About 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid

2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 61157313) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
PubChem CID61157313
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
SMILESNc1cc(C(=O)NC(C(=O)O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-11-7-6-10(8-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19)(H,20,21)
InChIKeyILTNLTHPORJYRE-UHFFFAOYSA-N
XLogP2.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
CID 71458070
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid (CID 61157313) is 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid is Nc1cc(C(=O)NC(C(=O)O)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is ILTNLTHPORJYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-7-6-10(8-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid?
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 304.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61157313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).