N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine

C22H17F3N2 — CID 54129002

IUPACN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
SMILESCCc1ccc(-c2ccc(C=NN=Cc3ccc(F)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C22H17F3N2/c1-2-15-5-9-19(21(24)11-15)18-7-3-16(4-8-18)13-26-27-14-17-6-10-20(23)22(25)12-17/h3-14H,2H2,1H3
InChIKeyNSZOBKPFQJCZFK-UHFFFAOYSA-N
MW366.39 g/mol
LogP5.79
Rot. Bonds5

About N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine

N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine (PubChem CID 54129002) has the molecular formula C22H17F3N2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
PubChem CID54129002
Molecular FormulaC22H17F3N2
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC NameN-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
SMILESCCc1ccc(-c2ccc(C=NN=Cc3ccc(F)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C22H17F3N2/c1-2-15-5-9-19(21(24)11-15)18-7-3-16(4-8-18)13-26-27-14-17-6-10-20(23)22(25)12-17/h3-14H,2H2,1H3
InChIKeyNSZOBKPFQJCZFK-UHFFFAOYSA-N
XLogP5.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.79
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-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
The IUPAC name of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine (CID 54129002) is N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
The canonical SMILES for N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine is CCc1ccc(-c2ccc(C=NN=Cc3ccc(F)c(F)c3)cc2)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
The InChIKey is NSZOBKPFQJCZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2/c1-2-15-5-9-19(21(24)11-15)18-7-3-16(4-8-18)13-26-27-14-17-6-10-20(23)22(25)12-17/h3-14H,2H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine has a molecular weight of 366.39 g/mol, XLogP of 5.79, 5 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-(4-ethyl-2-fluorophenyl)phenyl]methanimine is sourced from PubChem (CID 54129002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).