N-[(E)-benzylideneamino]-4-nitroaniline

C13H11N3O2 — CID 6436771

IUPACN-[(E)-benzylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccccc2)cc1
InChIInChI=1S/C13H11N3O2/c17-16(18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h1-10,15H/b14-10+
InChIKeyNOIFWEYOLLHIMW-GXDHUFHOSA-N
MW241.25 g/mol
LogP3.04
Rot. Bonds4

About N-[(E)-benzylideneamino]-4-nitroaniline

N-[(E)-benzylideneamino]-4-nitroaniline (PubChem CID 6436771) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-nitroaniline
PubChem CID6436771
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[(E)-benzylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccccc2)cc1
InChIInChI=1S/C13H11N3O2/c17-16(18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h1-10,15H/b14-10+
InChIKeyNOIFWEYOLLHIMW-GXDHUFHOSA-N
XLogP3.04
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.04
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

4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
4-nitro-N-[(Z)-(4-pyrrol-1-ylphenyl)methylideneamino]aniline
CID 40606782
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
4-nitro-N-[(E)-[4-(3-phenylpropoxy)phenyl]methylideneamino]aniline
CID 110506375
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
3-nitro-5-[(E)-(phenylhydrazinylidene)methyl]aniline
CID 12808213
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-nitroaniline?
The IUPAC name of N-[(E)-benzylideneamino]-4-nitroaniline (CID 6436771) is N-[(E)-benzylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(E)-benzylideneamino]-4-nitroaniline is O=[N+]([O-])c1ccc(N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-nitroaniline?
The InChIKey is NOIFWEYOLLHIMW-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-16(18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h1-10,15H/b14-10+.
What are the key properties of N-[(E)-benzylideneamino]-4-nitroaniline?
N-[(E)-benzylideneamino]-4-nitroaniline has a molecular weight of 241.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-nitroaniline is sourced from PubChem (CID 6436771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).