N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline

C20H16ClFN2O — CID 110840847

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
SMILESFc1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-5-1-16(2-6-17)14-25-20-11-3-15(4-12-20)13-23-24-19-9-7-18(22)8-10-19/h1-13,24H,14H2
InChIKeyDXKROJBMIVGTKD-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.50
Rot. Bonds6

About N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline (PubChem CID 110840847) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
PubChem CID110840847
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
SMILESFc1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-5-1-16(2-6-17)14-25-20-11-3-15(4-12-20)13-23-24-19-9-7-18(22)8-10-19/h1-13,24H,14H2
InChIKeyDXKROJBMIVGTKD-UHFFFAOYSA-N
XLogP5.50
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.50
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

N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
4-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110337635
4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840683
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6089080
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 50870606
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline (CID 110840847) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline is Fc1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
The InChIKey is DXKROJBMIVGTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-17-5-1-16(2-6-17)14-25-20-11-3-15(4-12-20)13-23-24-19-9-7-18(22)8-10-19/h1-13,24H,14H2.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline has a molecular weight of 354.81 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline is sourced from PubChem (CID 110840847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).