3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid

C15H14FNO4 — CID 82321510

IUPAC3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccco1)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H14FNO4/c1-10(15(19)20)9-17(12-6-4-11(16)5-7-12)14(18)13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyPEZIWKAQPDVXMX-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.79
Rot. Bonds5

About 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid

3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid (PubChem CID 82321510) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
PubChem CID82321510
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccco1)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H14FNO4/c1-10(15(19)20)9-17(12-6-4-11(16)5-7-12)14(18)13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyPEZIWKAQPDVXMX-UHFFFAOYSA-N
XLogP2.79
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-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

N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
3-[N-(2,2-dimethylpropanoyl)-4-fluoroanilino]-2-methylpropanoic acid
CID 82321113
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1449926
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42708667
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
N-[[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 7279741
3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 82324412
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42708664
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid?
The IUPAC name of 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid (CID 82321510) is 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid is CC(CN(C(=O)c1ccco1)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid?
The InChIKey is PEZIWKAQPDVXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10(15(19)20)9-17(12-6-4-11(16)5-7-12)14(18)13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid?
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid has a molecular weight of 291.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 82321510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).