N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide

C16H14ClF3N2O — CID 2727007

IUPACN-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)c1c(C)cccc1Cl
InChIInChI=1S/C16H14ClF3N2O/c1-3-22(14-10(2)5-4-6-13(14)17)15(23)11-9-21-8-7-12(11)16(18,19)20/h4-9H,3H2,1-2H3
InChIKeyKQYFDQMNDUDELD-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.73
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727007) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727007
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC NameN-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)c1c(C)cccc1Cl
InChIInChI=1S/C16H14ClF3N2O/c1-3-22(14-10(2)5-4-6-13(14)17)15(23)11-9-21-8-7-12(11)16(18,19)20/h4-9H,3H2,1-2H3
InChIKeyKQYFDQMNDUDELD-UHFFFAOYSA-N
XLogP4.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727007) is N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCN(C(=O)c1cnccc1C(F)(F)F)c1c(C)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KQYFDQMNDUDELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c1-3-22(14-10(2)5-4-6-13(14)17)15(23)11-9-21-8-7-12(11)16(18,19)20/h4-9H,3H2,1-2H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 342.75 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).