2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid

C14H10ClFN2O3 — CID 61157769

IUPAC2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
SMILESNc1cc(C(=O)Nc2ccc(F)cc2C(=O)O)ccc1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-10-3-1-7(5-11(10)17)13(19)18-12-4-2-8(16)6-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyOSSCOWPHYHMWGQ-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.01
Rot. Bonds3

About 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid

2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid (PubChem CID 61157769) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
PubChem CID61157769
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
SMILESNc1cc(C(=O)Nc2ccc(F)cc2C(=O)O)ccc1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-10-3-1-7(5-11(10)17)13(19)18-12-4-2-8(16)6-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyOSSCOWPHYHMWGQ-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

2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
CID 82683921
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
CID 81314313
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid (CID 61157769) is 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid is Nc1cc(C(=O)Nc2ccc(F)cc2C(=O)O)ccc1Cl.
What is the InChIKey of 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid?
The InChIKey is OSSCOWPHYHMWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-10-3-1-7(5-11(10)17)13(19)18-12-4-2-8(16)6-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid?
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic 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 2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 61157769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).