2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid

C14H9F2NO3 — CID 13390039

IUPAC2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H9F2NO3/c15-9-6-4-8(5-7-9)13(18)17-11-3-1-2-10(16)12(11)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyKWJUZOALCKOYMQ-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.92
Rot. Bonds3

About 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid

2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid (PubChem CID 13390039) has the molecular formula C14H9F2NO3 and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
PubChem CID13390039
Molecular FormulaC14H9F2NO3
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H9F2NO3/c15-9-6-4-8(5-7-9)13(18)17-11-3-1-2-10(16)12(11)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyKWJUZOALCKOYMQ-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamido-6-fluorobenzoic acid
CID 13389963
2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
CID 43442938
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397
2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 43442892
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638146
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442816
2-fluoro-6-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 43442867
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
N-(2,3-difluorophenyl)benzamide
CID 139202270
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid (CID 13390039) is 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid is O=C(Nc1cccc(F)c1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid?
The InChIKey is KWJUZOALCKOYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3/c15-9-6-4-8(5-7-9)13(18)17-11-3-1-2-10(16)12(11)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid?
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid has a molecular weight of 277.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 13390039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).