N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C14H10ClF3N2O — CID 2726834

IUPACN-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O/c1-20(10-4-2-9(15)3-5-10)13(21)11-8-19-7-6-12(11)14(16,17)18/h2-8H,1H3
InChIKeyNWICQYGXOZWLGT-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.03
Rot. Bonds2

About N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726834) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726834
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O/c1-20(10-4-2-9(15)3-5-10)13(21)11-8-19-7-6-12(11)14(16,17)18/h2-8H,1H3
InChIKeyNWICQYGXOZWLGT-UHFFFAOYSA-N
XLogP4.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726834) is N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is CN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NWICQYGXOZWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-20(10-4-2-9(15)3-5-10)13(21)11-8-19-7-6-12(11)14(16,17)18/h2-8H,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 314.69 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).