2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid

C14H10F2N2O3 — CID 61157616

IUPAC2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c15-7-1-3-11(17)9(5-7)13(19)18-12-4-2-8(16)6-10(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyPFHOQWHCZUOPJI-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.50
Rot. Bonds3

About 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid

2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid (PubChem CID 61157616) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
PubChem CID61157616
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c15-7-1-3-11(17)9(5-7)13(19)18-12-4-2-8(16)6-10(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyPFHOQWHCZUOPJI-UHFFFAOYSA-N
XLogP2.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.50
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

5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
2-[(2-bromo-4-fluorobenzoyl)amino]-5-nitrobenzoic acid
CID 16771403

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid (CID 61157616) is 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid is Nc1ccc(F)cc1C(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid?
The InChIKey is PFHOQWHCZUOPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-7-1-3-11(17)9(5-7)13(19)18-12-4-2-8(16)6-10(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid?
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid has a molecular weight of 292.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 61157616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).