5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid

C15H13ClN2O3 — CID 60861944

IUPAC5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
SMILESO=C(CNc1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-6-11(8-12(13)15(20)21)18-14(19)9-17-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,19)(H,20,21)
InChIKeyQUKQADGOMPDPCZ-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.09
Rot. Bonds5

About 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid

5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid (PubChem CID 60861944) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
PubChem CID60861944
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
SMILESO=C(CNc1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-6-11(8-12(13)15(20)21)18-14(19)9-17-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,19)(H,20,21)
InChIKeyQUKQADGOMPDPCZ-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080
5-[[2-(2-carboxyphenyl)sulfanylacetyl]amino]-2-chlorobenzoic acid
CID 5303183
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
CID 60851750
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 108806419
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136

Frequently Asked Questions

What is the IUPAC name of 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid (CID 60861944) is 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid is O=C(CNc1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid?
The InChIKey is QUKQADGOMPDPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-7-6-11(8-12(13)15(20)21)18-14(19)9-17-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,19)(H,20,21).
What are the key properties of 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid?
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 60861944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).