3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline

C14H10F3N3O2 — CID 6294934

IUPAC3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(N/N=C\c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)13-7-2-1-4-10(13)9-18-19-11-5-3-6-12(8-11)20(21)22/h1-9,19H/b18-9-
InChIKeyGRZDGPWOPBHSOY-NVMNQCDNSA-N
MW309.25 g/mol
LogP4.06
Rot. Bonds4

About 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline

3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 6294934) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID6294934
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESO=[N+]([O-])c1cccc(N/N=C\c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)13-7-2-1-4-10(13)9-18-19-11-5-3-6-12(8-11)20(21)22/h1-9,19H/b18-9-
InChIKeyGRZDGPWOPBHSOY-NVMNQCDNSA-N
XLogP4.06
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.06
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 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]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-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 6051173
3-nitro-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
CID 3634542
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitroaniline
CID 6174360
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
2-nitro-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5165965
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-3-nitroaniline
CID 9077545
2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 5122448
N-(2-chloroethylideneamino)-3-nitroaniline
CID 110842338

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 6294934) is 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is O=[N+]([O-])c1cccc(N/N=C\c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is GRZDGPWOPBHSOY-NVMNQCDNSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-14(16,17)13-7-2-1-4-10(13)9-18-19-11-5-3-6-12(8-11)20(21)22/h1-9,19H/b18-9-.
What are the key properties of 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 309.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 6294934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).