2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid

C14H11ClN2O3 — CID 61158573

IUPAC2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1
InChIInChI=1S/C14H11ClN2O3/c15-9-3-6-12(11(7-9)14(19)20)17-13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyGBIKCEBGAJGZPO-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.87
Rot. Bonds3

About 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid

2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid (PubChem CID 61158573) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
PubChem CID61158573
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1
InChIInChI=1S/C14H11ClN2O3/c15-9-3-6-12(11(7-9)14(19)20)17-13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyGBIKCEBGAJGZPO-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

5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5-chloro-2-[[4-(1-methylcyclohexyl)benzoyl]amino]benzoic acid
CID 46935602
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
5-chloro-2-[(4-methylbenzoyl)amino]benzamide
CID 46934109

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid?
The IUPAC name of 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid (CID 61158573) is 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid is Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid?
The InChIKey is GBIKCEBGAJGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-9-3-6-12(11(7-9)14(19)20)17-13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid?
2-[(4-aminobenzoyl)amino]-5-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 2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid is sourced from PubChem (CID 61158573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).