4-(5-fluoro-2-methylphenyl)but-3-enamide

C11H12FNO — CID 170797411

IUPAC4-(5-fluoro-2-methylphenyl)but-3-enamide
SMILESCc1ccc(F)cc1C=CCC(N)=O
InChIInChI=1S/C11H12FNO/c1-8-5-6-10(12)7-9(8)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyPZPXTIHXBWJCCT-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.02
Rot. Bonds3

About 4-(5-fluoro-2-methylphenyl)but-3-enamide

4-(5-fluoro-2-methylphenyl)but-3-enamide (PubChem CID 170797411) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)but-3-enamide
PubChem CID170797411
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(5-fluoro-2-methylphenyl)but-3-enamide
SMILESCc1ccc(F)cc1C=CCC(N)=O
InChIInChI=1S/C11H12FNO/c1-8-5-6-10(12)7-9(8)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyPZPXTIHXBWJCCT-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(5-fluoro-2-methylphenyl)but-3-enamide 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

4-(4-amino-2,5-dimethylphenyl)but-3-enamide
CID 170797935
S-[3-(5-fluoro-2-methylphenyl)prop-2-enyl] ethanethioate
CID 169456711
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729
4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide
CID 170797592
(E)-N-(diaminomethylidene)-3-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 163922974
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
(Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine
CID 129084153
4-(3-fluoro-2-formyl-6-methylphenyl)but-3-enamide
CID 170798200
ethyl 4-(2,4-difluorophenyl)but-3-enoate
CID 170795691
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721
4-(4-bromo-2,5-difluorophenyl)but-3-enamide
CID 170798989

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)but-3-enamide?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)but-3-enamide (CID 170797411) is 4-(5-fluoro-2-methylphenyl)but-3-enamide.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)but-3-enamide?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)but-3-enamide is Cc1ccc(F)cc1C=CCC(N)=O.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)but-3-enamide?
The InChIKey is PZPXTIHXBWJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-5-6-10(12)7-9(8)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H2,13,14).
What are the key properties of 4-(5-fluoro-2-methylphenyl)but-3-enamide?
4-(5-fluoro-2-methylphenyl)but-3-enamide has a molecular weight of 193.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)but-3-enamide is sourced from PubChem (CID 170797411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).