N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C15H12ClF3N2O — CID 2726857

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c1-21(9-10-4-2-3-5-13(10)16)14(22)11-8-20-7-6-12(11)15(17,18)19/h2-8H,9H2,1H3
InChIKeyWKRFWYUCMMTUQG-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.03
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726857) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726857
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c1-21(9-10-4-2-3-5-13(10)16)14(22)11-8-20-7-6-12(11)15(17,18)19/h2-8H,9H2,1H3
InChIKeyWKRFWYUCMMTUQG-UHFFFAOYSA-N
XLogP4.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
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-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726857) is N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WKRFWYUCMMTUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-21(9-10-4-2-3-5-13(10)16)14(22)11-8-20-7-6-12(11)15(17,18)19/h2-8H,9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 328.72 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).