4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid

C16H14FNO4 — CID 137374056

IUPAC4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C16H14FNO4/c1-9-7-11(17)4-5-12(9)15(19)18-13-6-3-10(16(20)21)8-14(13)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUVXTZPMHESOLFC-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.09
Rot. Bonds4

About 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid

4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid (PubChem CID 137374056) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid
PubChem CID137374056
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C16H14FNO4/c1-9-7-11(17)4-5-12(9)15(19)18-13-6-3-10(16(20)21)8-14(13)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUVXTZPMHESOLFC-UHFFFAOYSA-N
XLogP3.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid?
The IUPAC name of 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid (CID 137374056) is 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1NC(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid?
The InChIKey is UVXTZPMHESOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-9-7-11(17)4-5-12(9)15(19)18-13-6-3-10(16(20)21)8-14(13)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid?
4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid has a molecular weight of 303.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid is sourced from PubChem (CID 137374056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).