N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline

C15H14ClFN2O — CID 8826053

IUPACN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
SMILESCOc1ccc(Cl)cc1/C(C)=N\Nc1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O/c1-10(14-9-11(16)3-8-15(14)20-2)18-19-13-6-4-12(17)5-7-13/h3-9,19H,1-2H3/b18-10-
InChIKeyAFKBHXHPKRNDSC-ZDLGFXPLSA-N
MW292.74 g/mol
LogP4.32
Rot. Bonds4

About N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline (PubChem CID 8826053) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
PubChem CID8826053
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
SMILESCOc1ccc(Cl)cc1/C(C)=N\Nc1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O/c1-10(14-9-11(16)3-8-15(14)20-2)18-19-13-6-4-12(17)5-7-13/h3-9,19H,1-2H3/b18-10-
InChIKeyAFKBHXHPKRNDSC-ZDLGFXPLSA-N
XLogP4.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91332262
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205
2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
CID 8825931
2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride
CID 135675803
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
1-benzyl-3-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]thiourea
CID 8826307

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline?
The IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline (CID 8826053) is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline is COc1ccc(Cl)cc1/C(C)=N\Nc1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline?
The InChIKey is AFKBHXHPKRNDSC-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10(14-9-11(16)3-8-15(14)20-2)18-19-13-6-4-12(17)5-7-13/h3-9,19H,1-2H3/b18-10-.
What are the key properties of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline?
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline has a molecular weight of 292.74 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline is sourced from PubChem (CID 8826053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).