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

C14H9F2NO3 — CID 16789233

IUPAC4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H9F2NO3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyWMDCIGLUZGSSHR-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.92
Rot. Bonds3

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

4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid (PubChem CID 16789233) has the molecular formula C14H9F2NO3 and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
PubChem CID16789233
Molecular FormulaC14H9F2NO3
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H9F2NO3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyWMDCIGLUZGSSHR-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-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
4-fluoro-2-(thiophene-3-carbonylamino)benzoic acid
CID 16788115
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
4-(2,4-difluorophenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67343027
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
4-fluoro-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741924
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
CID 60787444
4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 28779104

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid (CID 16789233) is 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid is O=C(Nc1cc(F)ccc1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid?
The InChIKey is WMDCIGLUZGSSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid?
4-fluoro-2-[(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 4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 16789233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).