3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide

C18H19FN2O — CID 19685646

IUPAC3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
SMILESCCCC/C(=N\NC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H19FN2O/c1-2-3-12-17(14-8-5-4-6-9-14)20-21-18(22)15-10-7-11-16(19)13-15/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-17+
InChIKeyWIYAJZMVFUFECD-LVZFUZTISA-N
MW298.36 g/mol
LogP4.15
Rot. Bonds6

About 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide

3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide (PubChem CID 19685646) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
PubChem CID19685646
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
SMILESCCCC/C(=N\NC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H19FN2O/c1-2-3-12-17(14-8-5-4-6-9-14)20-21-18(22)15-10-7-11-16(19)13-15/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-17+
InChIKeyWIYAJZMVFUFECD-LVZFUZTISA-N
XLogP4.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide 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

3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
CID 6032270
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
CID 5201298
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
CID 102524209
N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide
CID 9026554
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
N-(1-phenylpentylideneamino)furan-2-carboxamide
CID 4993294
N-(1-phenylpentylideneamino)octanamide
CID 4676930

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide (CID 19685646) is 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide is CCCC/C(=N\NC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide?
The InChIKey is WIYAJZMVFUFECD-LVZFUZTISA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-3-12-17(14-8-5-4-6-9-14)20-21-18(22)15-10-7-11-16(19)13-15/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-17+.
What are the key properties of 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide?
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide has a molecular weight of 298.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide is sourced from PubChem (CID 19685646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).