4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide

C14H15FN2O — CID 112515887

IUPAC4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(C#N)c1cccc(F)c1
InChIInChI=1S/C14H15FN2O/c1-2-8-17-14(18)7-6-12(10-16)11-4-3-5-13(15)9-11/h2-5,9,12H,1,6-8H2,(H,17,18)
InChIKeyOUOBZQXGSGMKTA-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.52
Rot. Bonds6

About 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide

4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide (PubChem CID 112515887) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide
PubChem CID112515887
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(C#N)c1cccc(F)c1
InChIInChI=1S/C14H15FN2O/c1-2-8-17-14(18)7-6-12(10-16)11-4-3-5-13(15)9-11/h2-5,9,12H,1,6-8H2,(H,17,18)
InChIKeyOUOBZQXGSGMKTA-UHFFFAOYSA-N
XLogP2.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide 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-(2-chlorophenyl)-4-cyano-N-prop-2-enylbutanamide
CID 112517061
4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide
CID 112516514
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81365829
3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide
CID 112511360
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide
CID 82139134
2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide?
The IUPAC name of 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide (CID 112515887) is 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide is C=CCNC(=O)CCC(C#N)c1cccc(F)c1.
What is the InChIKey of 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide?
The InChIKey is OUOBZQXGSGMKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-8-17-14(18)7-6-12(10-16)11-4-3-5-13(15)9-11/h2-5,9,12H,1,6-8H2,(H,17,18).
What are the key properties of 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide?
4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide has a molecular weight of 246.28 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 112515887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).