(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide

C18H13FN2O — CID 6106364

IUPAC(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O/c19-16-9-11-17(12-10-16)21-18(22)15(13-20)8-4-7-14-5-2-1-3-6-14/h1-12H,(H,21,22)/b7-4+,15-8+
InChIKeyQWQHVGLOOLXLOJ-DUEVJXGLSA-N
MW292.31 g/mol
LogP3.93
Rot. Bonds4

About (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide

(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide (PubChem CID 6106364) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
PubChem CID6106364
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O/c19-16-9-11-17(12-10-16)21-18(22)15(13-20)8-4-7-14-5-2-1-3-6-14/h1-12H,(H,21,22)/b7-4+,15-8+
InChIKeyQWQHVGLOOLXLOJ-DUEVJXGLSA-N
XLogP3.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-2-(4-fluorobenzoyl)-5-phenylpenta-2,4-dienenitrile
CID 9337821
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
(2E,4E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-5-phenylpenta-2,4-dienamide
CID 126392520
2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 2874931
(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide
CID 126379771
4-[[(Z)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 2094514
2-cyano-3-(3-fluorophenyl)-N-phenylprop-2-enamide
CID 4136731
2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide
CID 171333357
4-[[(Z)-2-cyano-3-(4-fluoroanilino)prop-2-enoyl]amino]benzoic acid
CID 108823231
(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
CID 20836458
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-formylpiperazin-1-yl)prop-2-enamide
CID 108852001

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide (CID 6106364) is (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide is N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide?
The InChIKey is QWQHVGLOOLXLOJ-DUEVJXGLSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-16-9-11-17(12-10-16)21-18(22)15(13-20)8-4-7-14-5-2-1-3-6-14/h1-12H,(H,21,22)/b7-4+,15-8+.
What are the key properties of (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide?
(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide has a molecular weight of 292.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 6106364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).