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

C15H12FNO4 — CID 16785950

IUPAC4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)O)cc1
InChIInChI=1S/C15H12FNO4/c1-21-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNODSKAPLALDVTK-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.78
Rot. Bonds4

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

4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid (PubChem CID 16785950) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
PubChem CID16785950
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)O)cc1
InChIInChI=1S/C15H12FNO4/c1-21-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNODSKAPLALDVTK-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 104638375
N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide
CID 86887352
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
CID 60787444
4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
CID 46916164
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
methyl 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid (CID 16785950) is 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)O)cc1.
What is the InChIKey of 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is NODSKAPLALDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-21-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid?
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 16785950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).