3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline

C19H15N3O2 — CID 5110407

IUPAC3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(NN=Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O2/c23-22(24)19-8-4-7-18(13-19)21-20-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14,21H
InChIKeyZJMJQYLKDPLMHC-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.71
Rot. Bonds5

About 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline

3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline (PubChem CID 5110407) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
PubChem CID5110407
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(NN=Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O2/c23-22(24)19-8-4-7-18(13-19)21-20-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14,21H
InChIKeyZJMJQYLKDPLMHC-UHFFFAOYSA-N
XLogP4.71
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.71
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-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-3-nitroaniline
CID 9077545
3-nitro-N-[(4-propan-2-ylsulfanylphenyl)methylideneamino]aniline
CID 110842339
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-3-nitroaniline
CID 110842350
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
3-nitro-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
CID 3634542
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 9077620

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline?
The IUPAC name of 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline (CID 5110407) is 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline?
The canonical SMILES for 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline is O=[N+]([O-])c1cccc(NN=Cc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline?
The InChIKey is ZJMJQYLKDPLMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-22(24)19-8-4-7-18(13-19)21-20-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14,21H.
What are the key properties of 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline?
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline has a molecular weight of 317.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline is sourced from PubChem (CID 5110407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).