2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid

C16H16FNO2 — CID 114832037

IUPAC2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(F)cc1)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C16H16FNO2/c1-16(15(19)20,18-14-5-3-2-4-6-14)11-12-7-9-13(17)10-8-12/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyGSFUKQCPJBOUMT-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.32
Rot. Bonds5

About 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid

2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid (PubChem CID 114832037) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
PubChem CID114832037
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(F)cc1)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C16H16FNO2/c1-16(15(19)20,18-14-5-3-2-4-6-14)11-12-7-9-13(17)10-8-12/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyGSFUKQCPJBOUMT-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic 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-(3-fluoro-5-methylanilino)-2-methyl-3-phenylpropanoic acid
CID 79044451
3-anilino-3-methyl-4-phenylbutan-2-one
CID 131859757
2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
CID 71564937
2-anilino-2-methyl-3-phenylpropanamide
CID 55151227
2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114831914
2-anilino-2-methylpentanoic acid
CID 60992039
(2R)-2-[[chloro(phenoxy)phosphoryl]amino]-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 138503981
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-[(4-fluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899520
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid (CID 114832037) is 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid is CC(Cc1ccc(F)cc1)(Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid?
The InChIKey is GSFUKQCPJBOUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-16(15(19)20,18-14-5-3-2-4-6-14)11-12-7-9-13(17)10-8-12/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid?
2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 114832037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).