N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline

C21H17N3O2 — CID 101386209

IUPACN-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline
SMILESO=[N+]([O-])c1ccccc1/C(=C\C=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H17N3O2/c25-24(26)21-14-8-7-13-19(21)20(23-18-11-5-2-6-12-18)15-16-22-17-9-3-1-4-10-17/h1-16,23H/b20-15+,22-16+
InChIKeyJPUJAIKNTXMFMG-RQRAPYSXSA-N
MW343.39 g/mol
LogP5.45
Rot. Bonds6

About N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline

N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline (PubChem CID 101386209) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline.

Molecular Properties

Compound NameN-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline
PubChem CID101386209
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline
SMILESO=[N+]([O-])c1ccccc1/C(=C\C=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H17N3O2/c25-24(26)21-14-8-7-13-19(21)20(23-18-11-5-2-6-12-18)15-16-22-17-9-3-1-4-10-17/h1-16,23H/b20-15+,22-16+
InChIKeyJPUJAIKNTXMFMG-RQRAPYSXSA-N
XLogP5.45
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 55.45
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'}

Analyze N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline 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-[(Z)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline;hydrochloride
CID 11617826
4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline
CID 3736689
3-anilino-1-(2-nitrophenyl)but-2-en-1-one
CID 75609464
2-nitro-N-phenylbenzenecarboximidoyl chloride
CID 13213133
2,3-dinitro-N-phenylbenzamide
CID 18931494
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
benzene;2-nitrobenzoic acid
CID 19891435
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-nitrobenzoate
CID 9454763
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline?
The IUPAC name of N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline (CID 101386209) is N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline.
What is the SMILES notation for N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline?
The canonical SMILES for N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline is O=[N+]([O-])c1ccccc1/C(=C\C=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline?
The InChIKey is JPUJAIKNTXMFMG-RQRAPYSXSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-24(26)21-14-8-7-13-19(21)20(23-18-11-5-2-6-12-18)15-16-22-17-9-3-1-4-10-17/h1-16,23H/b20-15+,22-16+.
What are the key properties of N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline?
N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline has a molecular weight of 343.39 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline is sourced from PubChem (CID 101386209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).