N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine

C24H23F2N — CID 70500329

IUPACN-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine
SMILESCCCCCc1ccc(-c2ccc(/C=N/c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C24H23F2N/c1-2-3-4-5-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-27-22-14-15-23(25)24(26)16-22/h6-17H,2-5H2,1H3/b27-17+
InChIKeyRBKNVLCXFXETAJ-WPWMEQJKSA-N
MW363.45 g/mol
LogP7.12
Rot. Bonds7

About N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine

N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine (PubChem CID 70500329) has the molecular formula C24H23F2N and a molecular weight of 363.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine
PubChem CID70500329
Molecular FormulaC24H23F2N
Molecular Weight363.45 g/mol
Exact Mass363.18
IUPAC NameN-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine
SMILESCCCCCc1ccc(-c2ccc(/C=N/c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C24H23F2N/c1-2-3-4-5-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-27-22-14-15-23(25)24(26)16-22/h6-17H,2-5H2,1H3/b27-17+
InChIKeyRBKNVLCXFXETAJ-WPWMEQJKSA-N
XLogP7.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.45
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine?
The IUPAC name of N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine (CID 70500329) is N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine is CCCCCc1ccc(-c2ccc(/C=N/c3ccc(F)c(F)c3)cc2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine?
The InChIKey is RBKNVLCXFXETAJ-WPWMEQJKSA-N. The full InChI is InChI=1S/C24H23F2N/c1-2-3-4-5-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-27-22-14-15-23(25)24(26)16-22/h6-17H,2-5H2,1H3/b27-17+.
What are the key properties of N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine?
N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine has a molecular weight of 363.45 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-[4-(4-pentylphenyl)phenyl]methanimine is sourced from PubChem (CID 70500329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).