3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid

C14H11ClN2O3 — CID 61213678

IUPAC3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
SMILESNc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H11ClN2O3/c15-10-6-5-8(14(19)20)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyRAQJGKASIABEQW-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.87
Rot. Bonds3

About 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid

3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid (PubChem CID 61213678) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
PubChem CID61213678
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
SMILESNc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H11ClN2O3/c15-10-6-5-8(14(19)20)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyRAQJGKASIABEQW-UHFFFAOYSA-N
XLogP2.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.87
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

4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63117270
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid (CID 61213678) is 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid is Nc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid?
The InChIKey is RAQJGKASIABEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-6-5-8(14(19)20)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid?
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid has a molecular weight of 290.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 61213678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).