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'}

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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).