(2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide

C19H15N3O3 — CID 2351439

IUPAC(2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1
InChIInChI=1S/C19H15N3O3/c20-13-17(19(23)21-14-15-7-2-1-3-8-15)11-6-10-16-9-4-5-12-18(16)22(24)25/h1-12H,14H2,(H,21,23)/b10-6+,17-11+
InChIKeyFNWRTFAVXNMUGW-ANKJDYFYSA-N
MW333.35 g/mol
LogP3.37
Rot. Bonds6

About (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide

(2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide (PubChem CID 2351439) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide
PubChem CID2351439
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1
InChIInChI=1S/C19H15N3O3/c20-13-17(19(23)21-14-15-7-2-1-3-8-15)11-6-10-16-9-4-5-12-18(16)22(24)25/h1-12H,14H2,(H,21,23)/b10-6+,17-11+
InChIKeyFNWRTFAVXNMUGW-ANKJDYFYSA-N
XLogP3.37
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-(2-phenylethyl)benzamide
CID 720792
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
Benzamide, N-[2-(4-nitrophenyl)ethyl]-
CID 913108
3-nitro-N-(4-phenylbutyl)benzamide
CID 3106540
N-benzyl-3-nitrobenzamide
CID 347075
N-benzyl-2-nitrobenzamide
CID 675871
2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 2181642
(E)-N-[(2-chlorophenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2418253
(2E)-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 674235
(E)-3-(2-nitrophenyl)-N-phenylprop-2-enamide
CID 690172
N-[2-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)acrylamide
CID 807827
(E)-N-ethyl-3-(2-nitrophenyl)prop-2-enamide
CID 890046

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide (CID 2351439) is (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide is N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1.
What is the InChIKey of (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide?
The InChIKey is FNWRTFAVXNMUGW-ANKJDYFYSA-N. The full InChI is InChI=1S/C19H15N3O3/c20-13-17(19(23)21-14-15-7-2-1-3-8-15)11-6-10-16-9-4-5-12-18(16)22(24)25/h1-12H,14H2,(H,21,23)/b10-6+,17-11+.
What are the key properties of (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide?
(2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide has a molecular weight of 333.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide is sourced from PubChem (CID 2351439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).