N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline

C20H15Cl2FN2O — CID 110840793

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
SMILESFc1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C20H15Cl2FN2O/c21-16-5-4-15(20(22)11-16)13-26-19-3-1-2-14(10-19)12-24-25-18-8-6-17(23)7-9-18/h1-12,25H,13H2
InChIKeyMTUJWSZNDOMGGS-UHFFFAOYSA-N
MW389.26 g/mol
LogP6.16
Rot. Bonds6

About N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline (PubChem CID 110840793) has the molecular formula C20H15Cl2FN2O and a molecular weight of 389.26 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
PubChem CID110840793
Molecular FormulaC20H15Cl2FN2O
Molecular Weight389.26 g/mol
Exact Mass388.05
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
SMILESFc1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C20H15Cl2FN2O/c21-16-5-4-15(20(22)11-16)13-26-19-3-1-2-14(10-19)12-24-25-18-8-6-17(23)7-9-18/h1-12,25H,13H2
InChIKeyMTUJWSZNDOMGGS-UHFFFAOYSA-N
XLogP6.16
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 56.16
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-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841846
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841009
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
3-[(2E)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733677
N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 22780577
4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110506310
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
4-(2,4-dichlorophenyl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270499
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525499
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 96881597
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline (CID 110840793) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline is Fc1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
The InChIKey is MTUJWSZNDOMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O/c21-16-5-4-15(20(22)11-16)13-26-19-3-1-2-14(10-19)12-24-25-18-8-6-17(23)7-9-18/h1-12,25H,13H2.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline has a molecular weight of 389.26 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline is sourced from PubChem (CID 110840793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).