N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine

C24H21F3N2 — CID 54005916

IUPACN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine
SMILESCC(F)CCc1ccc(C(=NN=Cc2ccc(F)c(F)c2)c2ccccc2)cc1
InChIInChI=1S/C24H21F3N2/c1-17(25)7-8-18-9-12-21(13-10-18)24(20-5-3-2-4-6-20)29-28-16-19-11-14-22(26)23(27)15-19/h2-6,9-17H,7-8H2,1H3
InChIKeyKOWKUADWFRDYNM-UHFFFAOYSA-N
MW394.44 g/mol
LogP6.13
Rot. Bonds7

About N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine

N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine (PubChem CID 54005916) has the molecular formula C24H21F3N2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine
PubChem CID54005916
Molecular FormulaC24H21F3N2
Molecular Weight394.44 g/mol
Exact Mass394.17
IUPAC NameN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine
SMILESCC(F)CCc1ccc(C(=NN=Cc2ccc(F)c(F)c2)c2ccccc2)cc1
InChIInChI=1S/C24H21F3N2/c1-17(25)7-8-18-9-12-21(13-10-18)24(20-5-3-2-4-6-20)29-28-16-19-11-14-22(26)23(27)15-19/h2-6,9-17H,7-8H2,1H3
InChIKeyKOWKUADWFRDYNM-UHFFFAOYSA-N
XLogP6.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine 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

1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine
CID 173276645
N-[(4-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 4618251
1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine
CID 173276736
4-[(benzhydrylidenehydrazinylidene)methyl]benzoic acid
CID 2495897
4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
CID 135675850
(3,4-difluorophenyl)methyl N'-[(E)-[4-(2-methylpropyl)phenyl]methylideneamino]carbamimidothioate
CID 43811289
methyl 4-[[4-[(E)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6902718
N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine
CID 145492710
[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5030022
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
CID 170780708
2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024102
1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine
CID 54401420

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine (CID 54005916) is N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine is CC(F)CCc1ccc(C(=NN=Cc2ccc(F)c(F)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine?
The InChIKey is KOWKUADWFRDYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2/c1-17(25)7-8-18-9-12-21(13-10-18)24(20-5-3-2-4-6-20)29-28-16-19-11-14-22(26)23(27)15-19/h2-6,9-17H,7-8H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine?
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine has a molecular weight of 394.44 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 54005916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).