4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

C15H12ClF3N2O — CID 86920890

IUPAC4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C15H12ClF3N2O/c1-21(14(22)13-8-11(16)6-7-20-13)9-10-4-2-3-5-12(10)15(17,18)19/h2-8H,9H2,1H3
InChIKeyPZLYEYUPIFJSAV-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 86920890) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID86920890
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C15H12ClF3N2O/c1-21(14(22)13-8-11(16)6-7-20-13)9-10-4-2-3-5-12(10)15(17,18)19/h2-8H,9H2,1H3
InChIKeyPZLYEYUPIFJSAV-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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Related Compounds

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 134047362
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
CID 60793876
N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047303
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 70768734
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
CID 60737654
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55775742
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
3-benzyl-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 24664938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (CID 86920890) is 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is PZLYEYUPIFJSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-21(14(22)13-8-11(16)6-7-20-13)9-10-4-2-3-5-12(10)15(17,18)19/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-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 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 86920890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).