N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide

C17H13N3O3 — CID 67930388

IUPACN-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])c(C#N)c2)cc1
InChIInChI=1S/C17H13N3O3/c1-12(21)19-16-7-4-13(5-8-16)2-3-14-6-9-17(20(22)23)15(10-14)11-18/h2-10H,1H3,(H,19,21)/b3-2+
InChIKeyNSNNMUUPAKKGLM-NSCUHMNNSA-N
MW307.31 g/mol
LogP3.60
Rot. Bonds4

About N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide

N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide (PubChem CID 67930388) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
PubChem CID67930388
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])c(C#N)c2)cc1
InChIInChI=1S/C17H13N3O3/c1-12(21)19-16-7-4-13(5-8-16)2-3-14-6-9-17(20(22)23)15(10-14)11-18/h2-10H,1H3,(H,19,21)/b3-2+
InChIKeyNSNNMUUPAKKGLM-NSCUHMNNSA-N
XLogP3.60
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile
CID 67930478
2-nitro-5-[2-[4-(tetradecylamino)phenyl]ethenyl]benzonitrile
CID 67930433
N-[2-(3-cyano-4-nitroanilino)ethyl]acetamide
CID 113324174
N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide
CID 163975172
5-[2-[4-[2-[4-(dioctadecylamino)phenyl]ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile
CID 67930421
5-[(E)-2-[4-[4-(dihexadecylamino)phenyl]phenyl]ethenyl]-2-nitrobenzonitrile
CID 67930547
(E)-3-(4-cyano-3-nitrophenyl)prop-2-enoic acid
CID 90150539
5-[(2-amino-2-methylpropyl)amino]-2-nitrobenzonitrile
CID 113324223
2-(3-cyano-4-nitroanilino)-2-methylpropanamide
CID 115500213
5-(1-hydroxypropylamino)-2-nitrobenzonitrile
CID 139747927
N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
CID 71236809
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide (CID 67930388) is N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])c(C#N)c2)cc1.
What is the InChIKey of N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide?
The InChIKey is NSNNMUUPAKKGLM-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-12(21)19-16-7-4-13(5-8-16)2-3-14-6-9-17(20(22)23)15(10-14)11-18/h2-10H,1H3,(H,19,21)/b3-2+.
What are the key properties of N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide?
N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide has a molecular weight of 307.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 67930388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).