N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline

C19H15N3O2 — CID 2850900

IUPACN-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
SMILESO=[N+]([O-])c1cccc(C=NN(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15N3O2/c23-22(24)19-13-7-8-16(14-19)15-20-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H
InChIKeyGTEPSSYAVMWOIG-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.77
Rot. Bonds5

About N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline

N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline (PubChem CID 2850900) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
PubChem CID2850900
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
SMILESO=[N+]([O-])c1cccc(C=NN(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15N3O2/c23-22(24)19-13-7-8-16(14-19)15-20-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H
InChIKeyGTEPSSYAVMWOIG-UHFFFAOYSA-N
XLogP4.77
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
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'}

Analyze N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline 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

N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-(3-nitrophenyl)-N-[8-[(3-nitrophenyl)methylideneamino]octyl]methanimine
CID 139068600
1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
CID 692052
N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284
5-[(E)-(3-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 117059660
3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 11624890
2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 2415241
2-[(3-nitrophenyl)methylideneamino]propanoic acid
CID 122707222
CID 175409039
CID 175409039

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline (CID 2850900) is N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline is O=[N+]([O-])c1cccc(C=NN(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline?
The InChIKey is GTEPSSYAVMWOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-22(24)19-13-7-8-16(14-19)15-20-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H.
What are the key properties of N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline?
N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline has a molecular weight of 317.35 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 2850900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).