(2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide

C18H14N2O — CID 765887

IUPAC(2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H14N2O/c19-14-16(11-7-10-15-8-3-1-4-9-15)18(21)20-17-12-5-2-6-13-17/h1-13H,(H,20,21)/b10-7+,16-11+
InChIKeyRBFPETVLDQZQBX-RWZRJOGJSA-N
MW274.32 g/mol
LogP3.79
Rot. Bonds4

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

(2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide (PubChem CID 765887) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide
PubChem CID765887
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H14N2O/c19-14-16(11-7-10-15-8-3-1-4-9-15)18(21)20-17-12-5-2-6-13-17/h1-13H,(H,20,21)/b10-7+,16-11+
InChIKeyRBFPETVLDQZQBX-RWZRJOGJSA-N
XLogP3.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.79
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

2-Hydroxyquinoline
CID 6038
Teriflunomide
CID 54684141
4-Methylquinolin-2-ol
CID 69088
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
Benodanil
CID 27195
Acetylbenzidine
CID 18787
2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide
CID 54677977
Benzanilide
CID 7168
p-Malonotoluidide
CID 95277
N-(2-aminophenyl)benzamide
CID 759408
4'-Methylbenzanilide
CID 68497

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide (CID 765887) is (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide is N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide?
The InChIKey is RBFPETVLDQZQBX-RWZRJOGJSA-N. The full InChI is InChI=1S/C18H14N2O/c19-14-16(11-7-10-15-8-3-1-4-9-15)18(21)20-17-12-5-2-6-13-17/h1-13H,(H,20,21)/b10-7+,16-11+.
What are the key properties of (2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide?
(2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide has a molecular weight of 274.32 g/mol, XLogP of 3.79, 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,5-diphenylpenta-2,4-dienamide is sourced from PubChem (CID 765887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).