4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid

C15H12FNO3 — CID 18070264

IUPAC4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12FNO3/c16-12-3-1-2-10(8-12)9-14(18)17-13-6-4-11(5-7-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyBYKFCGZYFDZFAN-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.71
Rot. Bonds4

About 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid

4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid (PubChem CID 18070264) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
PubChem CID18070264
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12FNO3/c16-12-3-1-2-10(8-12)9-14(18)17-13-6-4-11(5-7-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyBYKFCGZYFDZFAN-UHFFFAOYSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
CID 62303729
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid
CID 163300250
N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112990067
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid (CID 18070264) is 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid is O=C(Cc1cccc(F)c1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid?
The InChIKey is BYKFCGZYFDZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-3-1-2-10(8-12)9-14(18)17-13-6-4-11(5-7-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid?
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 18070264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).