3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid

C15H12FNO3 — CID 63190262

IUPAC3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C15H12FNO3/c16-12-9-11(15(19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H,19,20)
InChIKeyJLCOKBKMRMGFOB-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.71
Rot. Bonds4

About 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid

3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid (PubChem CID 63190262) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
PubChem CID63190262
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C15H12FNO3/c16-12-9-11(15(19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H,19,20)
InChIKeyJLCOKBKMRMGFOB-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

4-[[2-(4-bromophenyl)acetyl]amino]-3-fluorobenzoic acid
CID 63189951
N-(2-fluoro-4-iodophenyl)-2-phenylacetamide
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4-(benzylamino)-3-fluorobenzoic acid
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4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187790
4-[[2-(cyclohexen-1-yl)acetyl]amino]-3-fluorobenzoic acid
CID 63565174
3-fluoro-4-(3-methylsulfanylpropanoylamino)benzoic acid
CID 63190269
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
3-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 63188229
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
3-fluoro-4-[(2-methylphenyl)carbamoylamino]benzoic acid
CID 63189842

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid (CID 63190262) is 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid is O=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid?
The InChIKey is JLCOKBKMRMGFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-9-11(15(19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid?
3-fluoro-4-[(2-phenylacetyl)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 3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 63190262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).