4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid

C14H10ClFN2O3 — CID 103869409

IUPAC4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H10ClFN2O3/c15-11-6-8(2-4-9(11)14(20)21)18-13(19)10-3-1-7(17)5-12(10)16/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeySIKFEOWUKJZQAB-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.01
Rot. Bonds3

About 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid

4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid (PubChem CID 103869409) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
PubChem CID103869409
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H10ClFN2O3/c15-11-6-8(2-4-9(11)14(20)21)18-13(19)10-3-1-7(17)5-12(10)16/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeySIKFEOWUKJZQAB-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-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 107793937
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
CID 107794020
4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
CID 103869169
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid (CID 103869409) is 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid is Nc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid?
The InChIKey is SIKFEOWUKJZQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-11-6-8(2-4-9(11)14(20)21)18-13(19)10-3-1-7(17)5-12(10)16/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid?
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic 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-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 103869409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).