4-(3-acetamidophenyl)-3-fluorobenzoic acid

C15H12FNO3 — CID 53227028

IUPAC4-(3-acetamidophenyl)-3-fluorobenzoic acid
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C15H12FNO3/c1-9(18)17-12-4-2-3-10(7-12)13-6-5-11(15(19)20)8-14(13)16/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyPJCPKTBQFDGDFI-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.15
Rot. Bonds3

About 4-(3-acetamidophenyl)-3-fluorobenzoic acid

4-(3-acetamidophenyl)-3-fluorobenzoic acid (PubChem CID 53227028) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-3-fluorobenzoic acid
PubChem CID53227028
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name4-(3-acetamidophenyl)-3-fluorobenzoic acid
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C15H12FNO3/c1-9(18)17-12-4-2-3-10(7-12)13-6-5-11(15(19)20)8-14(13)16/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyPJCPKTBQFDGDFI-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(3-methylsulfonylphenyl)benzoic acid
CID 53228086
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
3-(3-acetamidophenyl)-5-aminobenzoic acid
CID 53227021
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
4-(3-acetamidophenyl)benzoate
CID 86306420
N-[3-(5-chloro-2-hydroxyphenyl)phenyl]acetamide
CID 134858754
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(3-acetamidophenyl)-3-fluorobenzoic acid (CID 53227028) is 4-(3-acetamidophenyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(3-acetamidophenyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(3-acetamidophenyl)-3-fluorobenzoic acid is CC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2F)c1.
What is the InChIKey of 4-(3-acetamidophenyl)-3-fluorobenzoic acid?
The InChIKey is PJCPKTBQFDGDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-9(18)17-12-4-2-3-10(7-12)13-6-5-11(15(19)20)8-14(13)16/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(3-acetamidophenyl)-3-fluorobenzoic acid?
4-(3-acetamidophenyl)-3-fluorobenzoic acid has a molecular weight of 273.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-3-fluorobenzoic acid is sourced from PubChem (CID 53227028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).