6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide

C24H23Cl2FN2O2 — CID 71519330

IUPAC6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H23Cl2FN2O2/c1-15(2)13-28-24(30)22-5-3-4-20(29-22)11-17-10-18(25)8-9-23(17)31-14-16-6-7-19(26)12-21(16)27/h3-10,12,15H,11,13-14H2,1-2H3,(H,28,30)
InChIKeySIDBKCIQXCEIJS-UHFFFAOYSA-N
MW461.36 g/mol
LogP6.08
Rot. Bonds8

About 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide

6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 71519330) has the molecular formula C24H23Cl2FN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID71519330
Molecular FormulaC24H23Cl2FN2O2
Molecular Weight461.36 g/mol
Exact Mass460.11
IUPAC Name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H23Cl2FN2O2/c1-15(2)13-28-24(30)22-5-3-4-20(29-22)11-17-10-18(25)8-9-23(17)31-14-16-6-7-19(26)12-21(16)27/h3-10,12,15H,11,13-14H2,1-2H3,(H,28,30)
InChIKeySIDBKCIQXCEIJS-UHFFFAOYSA-N
XLogP6.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 71519330) is 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.
What is the InChIKey of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is SIDBKCIQXCEIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN2O2/c1-15(2)13-28-24(30)22-5-3-4-20(29-22)11-17-10-18(25)8-9-23(17)31-14-16-6-7-19(26)12-21(16)27/h3-10,12,15H,11,13-14H2,1-2H3,(H,28,30).
What are the key properties of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 461.36 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 71519330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).