2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

C15H14N4O3 — CID 110515234

IUPAC2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESNc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N4O3/c16-13-6-4-11(5-7-13)9-15(20)18-17-10-12-2-1-3-14(8-12)19(21)22/h1-8,10H,9,16H2,(H,18,20)/b17-10-
InChIKeyMGCGDRMDPXZPII-YVLHZVERSA-N
MW298.30 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 110515234) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID110515234
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESNc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N4O3/c16-13-6-4-11(5-7-13)9-15(20)18-17-10-12-2-1-3-14(8-12)19(21)22/h1-8,10H,9,16H2,(H,18,20)/b17-10-
InChIKeyMGCGDRMDPXZPII-YVLHZVERSA-N
XLogP1.87
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 2832941
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 171131742

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (CID 110515234) is 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is Nc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is MGCGDRMDPXZPII-YVLHZVERSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-13-6-4-11(5-7-13)9-15(20)18-17-10-12-2-1-3-14(8-12)19(21)22/h1-8,10H,9,16H2,(H,18,20)/b17-10-.
What are the key properties of 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 298.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).