5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid

C14H11ClN2O3 — CID 63115662

IUPAC5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H11ClN2O3/c15-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyCLVOYLKNLQYRRG-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.87
Rot. Bonds3

About 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid

5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid (PubChem CID 63115662) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
PubChem CID63115662
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H11ClN2O3/c15-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyCLVOYLKNLQYRRG-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

2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971032
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 50782912
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid (CID 63115662) is 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid is Nc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid?
The InChIKey is CLVOYLKNLQYRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid?
5-amino-2-[(4-chlorobenzoyl)amino]benzoic 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 5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 63115662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).