N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline

C14H10F3N3O3 — CID 67519187

IUPACN-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
SMILESO=[N+]([O-])c1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)23-13-7-3-11(4-8-13)19-18-9-10-1-5-12(6-2-10)20(21)22/h1-9,19H
InChIKeyJCQPVHHHHHQBNA-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.94
Rot. Bonds5

About N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline

N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline (PubChem CID 67519187) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
PubChem CID67519187
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC NameN-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
SMILESO=[N+]([O-])c1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)23-13-7-3-11(4-8-13)19-18-9-10-1-5-12(6-2-10)20(21)22/h1-9,19H
InChIKeyJCQPVHHHHHQBNA-UHFFFAOYSA-N
XLogP3.94
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 3560230
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
4-nitro-N'-[4-(trifluoromethoxy)anilino]benzenecarboximidamide
CID 90409045
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 7329141
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-nitroaniline
CID 110842153
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
4-nitro-N-[(E)-[4-(3-phenylpropoxy)phenyl]methylideneamino]aniline
CID 110506375
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
CID 70056050

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline (CID 67519187) is N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline is O=[N+]([O-])c1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline?
The InChIKey is JCQPVHHHHHQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c15-14(16,17)23-13-7-3-11(4-8-13)19-18-9-10-1-5-12(6-2-10)20(21)22/h1-9,19H.
What are the key properties of N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline?
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline has a molecular weight of 325.25 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 67519187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).