2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid

C16H16FNO2 — CID 103234523

IUPAC2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-11(16(19)20)13-4-2-12(3-5-13)10-18-15-8-6-14(17)7-9-15/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyAZTZHCJVWYHIPD-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.63
Rot. Bonds5

About 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid

2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid (PubChem CID 103234523) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid
PubChem CID103234523
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-11(16(19)20)13-4-2-12(3-5-13)10-18-15-8-6-14(17)7-9-15/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyAZTZHCJVWYHIPD-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid
CID 103234862
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637
2-[4-[(4-methylsulfanylanilino)methyl]phenyl]propanoic acid
CID 103232548
2-[4-[(4-bromoanilino)methyl]phenyl]propanoic acid
CID 103234443
2-[4-[(3-fluoro-4-methylanilino)methyl]phenyl]propanoic acid
CID 103235860
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
2-[4-[(3,5-dimethylanilino)methyl]phenyl]propanoic acid
CID 103235711
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
3-[4-(benzylamino)phenyl]-2-methylpropanoic acid
CID 54156603
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
2-[4-[(2-bromoanilino)methyl]phenyl]propanoic acid
CID 103234406
2-[4-[[(4-bromophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid (CID 103234523) is 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid?
The InChIKey is AZTZHCJVWYHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(16(19)20)13-4-2-12(3-5-13)10-18-15-8-6-14(17)7-9-15/h2-9,11,18H,10H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid?
2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid is sourced from PubChem (CID 103234523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).