N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide

C16H12N4O3 — CID 75394011

IUPACN-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide
SMILESN#Cc1ccccc1/C=N/NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O3/c17-10-13-5-1-2-6-14(13)11-18-19-16(21)9-12-4-3-7-15(8-12)20(22)23/h1-8,11H,9H2,(H,19,21)/b18-11+
InChIKeyOHETXNLJCHOPKZ-WOJGMQOQSA-N
MW308.30 g/mol
LogP2.16
Rot. Bonds5

About N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide

N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide (PubChem CID 75394011) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide
PubChem CID75394011
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide
SMILESN#Cc1ccccc1/C=N/NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O3/c17-10-13-5-1-2-6-14(13)11-18-19-16(21)9-12-4-3-7-15(8-12)20(22)23/h1-8,11H,9H2,(H,19,21)/b18-11+
InChIKeyOHETXNLJCHOPKZ-WOJGMQOQSA-N
XLogP2.16
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 94844387
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-2-(3-nitrophenyl)acetamide
CID 126817089
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
N-[(Z)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-phenylacetamide
CID 94845582
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033660
4-[2-[(Z)-[[2-(3-nitrophenyl)acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CID 7340677

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide (CID 75394011) is N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide is N#Cc1ccccc1/C=N/NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide?
The InChIKey is OHETXNLJCHOPKZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-10-13-5-1-2-6-14(13)11-18-19-16(21)9-12-4-3-7-15(8-12)20(22)23/h1-8,11H,9H2,(H,19,21)/b18-11+.
What are the key properties of N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide?
N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide has a molecular weight of 308.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 75394011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).