2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid

C14H11ClN2O3 — CID 63722942

IUPAC2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
SMILESNc1ccccc1C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClN2O3/c15-9-5-3-7-11(12(9)14(19)20)17-13(18)8-4-1-2-6-10(8)16/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyKQVATIWIGGZGFO-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.87
Rot. Bonds3

About 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid

2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid (PubChem CID 63722942) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
PubChem CID63722942
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
SMILESNc1ccccc1C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClN2O3/c15-9-5-3-7-11(12(9)14(19)20)17-13(18)8-4-1-2-6-10(8)16/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyKQVATIWIGGZGFO-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

N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 63724282
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid?
The IUPAC name of 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid (CID 63722942) is 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid.
What is the SMILES notation for 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid?
The canonical SMILES for 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid is Nc1ccccc1C(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid?
The InChIKey is KQVATIWIGGZGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-9-5-3-7-11(12(9)14(19)20)17-13(18)8-4-1-2-6-10(8)16/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid?
2-[(2-aminobenzoyl)amino]-6-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-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid is sourced from PubChem (CID 63722942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).