4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide

C19H19FN2O — CID 167054913

IUPAC4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(-c2cccc(C(=C)C)c2)c(F)c1
InChIInChI=1S/C19H19FN2O/c1-12(2)13-4-3-5-14(10-13)16-7-6-15(11-17(16)20)18(21)8-9-19(22)23/h3-7,10-11,21H,1,8-9H2,2H3,(H2,22,23)/b21-18+
InChIKeyZFEMXMDJABEXOJ-DYTRJAOYSA-N
MW310.37 g/mol
LogP4.16
Rot. Bonds6

About 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide

4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide (PubChem CID 167054913) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide.

Molecular Properties

Compound Name4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide
PubChem CID167054913
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(-c2cccc(C(=C)C)c2)c(F)c1
InChIInChI=1S/C19H19FN2O/c1-12(2)13-4-3-5-14(10-13)16-7-6-15(11-17(16)20)18(21)8-9-19(22)23/h3-7,10-11,21H,1,8-9H2,2H3,(H2,22,23)/b21-18+
InChIKeyZFEMXMDJABEXOJ-DYTRJAOYSA-N
XLogP4.16
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide 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-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide
CID 167054887
4-[3-fluoro-4-[5-methyl-2-[(E)-prop-1-enyl]phenyl]phenyl]-4-iminobutanamide
CID 167054796
4-[3-fluoro-4-[(2Z,4Z,6E)-1-imino-5-methylocta-2,4,6-trien-4-yl]phenyl]-4-iminobutanamide
CID 167054779
[2-fluoro-4-(2-fluoro-4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 129059905
2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline
CID 167054767
1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine
CID 126701033
4-butanimidoyl-2-fluoroaniline
CID 174484093
3-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]benzene-1,2-diol
CID 167054831
4-(3-acetamidophenyl)-3-fluorobenzoic acid
CID 53227028
4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide
CID 143275681
1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone
CID 62964604
1-(3-fluorophenyl)pentan-1-imine
CID 125478638

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide?
The IUPAC name of 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide (CID 167054913) is 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide.
What is the SMILES notation for 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide?
The canonical SMILES for 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide is [H]/N=C(\CCC(N)=O)c1ccc(-c2cccc(C(=C)C)c2)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide?
The InChIKey is ZFEMXMDJABEXOJ-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-12(2)13-4-3-5-14(10-13)16-7-6-15(11-17(16)20)18(21)8-9-19(22)23/h3-7,10-11,21H,1,8-9H2,2H3,(H2,22,23)/b21-18+.
What are the key properties of 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide?
4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide has a molecular weight of 310.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide is sourced from PubChem (CID 167054913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).