2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide

C16H15N3O3 — CID 3396450

IUPAC2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=CCc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-16(12-14-6-8-15(9-7-14)19(21)22)18-17-11-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,18,20)
InChIKeyZKONCEHNFPIFKN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.48
Rot. Bonds6

About 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide

2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide (PubChem CID 3396450) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
PubChem CID3396450
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=CCc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-16(12-14-6-8-15(9-7-14)19(21)22)18-17-11-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,18,20)
InChIKeyZKONCEHNFPIFKN-UHFFFAOYSA-N
XLogP2.48
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
CID 5338217
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
2-(3-nitro-1,2,4-triazol-1-yl)-N-[(E)-2-phenylethylideneamino]acetamide
CID 7348324
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide (CID 3396450) is 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=CCc1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide?
The InChIKey is ZKONCEHNFPIFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-16(12-14-6-8-15(9-7-14)19(21)22)18-17-11-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,18,20).
What are the key properties of 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide?
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide has a molecular weight of 297.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide is sourced from PubChem (CID 3396450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).