N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide

C15H13N3O3 — CID 6894812

IUPACN-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3/c19-15(10-12-6-2-1-3-7-12)17-16-11-13-8-4-5-9-14(13)18(20)21/h1-9,11H,10H2,(H,17,19)/b16-11+
InChIKeyGVQASWDBENWUKD-LFIBNONCSA-N
MW283.29 g/mol
LogP2.29
Rot. Bonds5

About N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 6894812) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID6894812
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3/c19-15(10-12-6-2-1-3-7-12)17-16-11-13-8-4-5-9-14(13)18(20)21/h1-9,11H,10H2,(H,17,19)/b16-11+
InChIKeyGVQASWDBENWUKD-LFIBNONCSA-N
XLogP2.29
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.29
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

N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6062602
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
1-benzyl-3-[(Z)-(2-nitrophenyl)methylideneamino]thiourea
CID 6164365
(4R)-4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-phenylbutanamide
CID 94833743
2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 2247598
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 126228664
N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 44615989
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 6894812) is N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is GVQASWDBENWUKD-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(10-12-6-2-1-3-7-12)17-16-11-13-8-4-5-9-14(13)18(20)21/h1-9,11H,10H2,(H,17,19)/b16-11+.
What are the key properties of N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 283.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6894812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).