4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid

C14H10ClFN2O3 — CID 63116238

IUPAC4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H10ClFN2O3/c15-11-5-7(16)1-3-9(11)13(19)18-12-6-8(17)2-4-10(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyIPPVFNWNOUOCIZ-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.01
Rot. Bonds3

About 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid

4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid (PubChem CID 63116238) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
PubChem CID63116238
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H10ClFN2O3/c15-11-5-7(16)1-3-9(11)13(19)18-12-6-8(17)2-4-10(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyIPPVFNWNOUOCIZ-UHFFFAOYSA-N
XLogP3.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.01
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-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 63116313
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid (CID 63116238) is 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid?
The InChIKey is IPPVFNWNOUOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-11-5-7(16)1-3-9(11)13(19)18-12-6-8(17)2-4-10(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid?
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid has a molecular weight of 308.70 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 63116238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).