4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid

C15H12FNO4 — CID 28934222

IUPAC4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(O)cc1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H12FNO4/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(18)5-2-9/h1-6,8,18H,7H2,(H,17,19)(H,20,21)
InChIKeyWGTRSCUHTAQLPV-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.41
Rot. Bonds4

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

4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid (PubChem CID 28934222) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
PubChem CID28934222
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(O)cc1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H12FNO4/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(18)5-2-9/h1-6,8,18H,7H2,(H,17,19)(H,20,21)
InChIKeyWGTRSCUHTAQLPV-UHFFFAOYSA-N
XLogP2.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934159
4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 63116313
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
N-(2-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 43134285
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139491
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031
4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 43358600
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid (CID 28934222) is 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid is O=C(Cc1ccc(O)cc1)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is WGTRSCUHTAQLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(18)5-2-9/h1-6,8,18H,7H2,(H,17,19)(H,20,21).
What are the key properties of 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 28934222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).