N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine

C20H11ClF5N — CID 101489818

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine
SMILESFc1c(F)c(F)c(-c2ccccc2/C=N/Cc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C20H11ClF5N/c21-13-7-5-11(6-8-13)9-27-10-12-3-1-2-4-14(12)15-16(22)18(24)20(26)19(25)17(15)23/h1-8,10H,9H2/b27-10+
InChIKeyMPWJEFACCLCRRE-YPXUMCKCSA-N
MW395.76 g/mol
LogP6.32
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine

N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine (PubChem CID 101489818) has the molecular formula C20H11ClF5N and a molecular weight of 395.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine
PubChem CID101489818
Molecular FormulaC20H11ClF5N
Molecular Weight395.76 g/mol
Exact Mass395.05
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine
SMILESFc1c(F)c(F)c(-c2ccccc2/C=N/Cc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C20H11ClF5N/c21-13-7-5-11(6-8-13)9-27-10-12-3-1-2-4-14(12)15-16(22)18(24)20(26)19(25)17(15)23/h1-8,10H,9H2/b27-10+
InChIKeyMPWJEFACCLCRRE-YPXUMCKCSA-N
XLogP6.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.76
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine (CID 101489818) is N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine is Fc1c(F)c(F)c(-c2ccccc2/C=N/Cc2ccc(Cl)cc2)c(F)c1F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine?
The InChIKey is MPWJEFACCLCRRE-YPXUMCKCSA-N. The full InChI is InChI=1S/C20H11ClF5N/c21-13-7-5-11(6-8-13)9-27-10-12-3-1-2-4-14(12)15-16(22)18(24)20(26)19(25)17(15)23/h1-8,10H,9H2/b27-10+.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine?
N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine has a molecular weight of 395.76 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine is sourced from PubChem (CID 101489818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).