N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide

C15H13N3O3 — CID 6321925

IUPACN-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O3/c19-15(10-12-5-2-1-3-6-12)17-16-11-13-7-4-8-14(9-13)18(20)21/h1-9,11H,10H2,(H,17,19)/b16-11+
InChIKeyBEWCTIONMNBFAG-LFIBNONCSA-N
MW283.29 g/mol
LogP2.29
Rot. Bonds5

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

N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 6321925) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID6321925
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O3/c19-15(10-12-5-2-1-3-6-12)17-16-11-13-7-4-8-14(9-13)18(20)21/h1-9,11H,10H2,(H,17,19)/b16-11+
InChIKeyBEWCTIONMNBFAG-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 6321925) is N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is BEWCTIONMNBFAG-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(10-12-5-2-1-3-6-12)17-16-11-13-7-4-8-14(9-13)18(20)21/h1-9,11H,10H2,(H,17,19)/b16-11+.
What are the key properties of N-[(E)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(3-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)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6321925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).