5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C16H12ClF5N2O2 — CID 171547604

IUPAC5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C16H12ClF5N2O2/c1-24(8-9-3-2-4-10(5-9)16(20,21)22)14(25)12-6-11(17)7-23-13(12)26-15(18)19/h2-7,15H,8H2,1H3
InChIKeyLAZSUEKBCJXXFR-UHFFFAOYSA-N
MW394.73 g/mol
LogP4.63
Rot. Bonds5

About 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 171547604) has the molecular formula C16H12ClF5N2O2 and a molecular weight of 394.73 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID171547604
Molecular FormulaC16H12ClF5N2O2
Molecular Weight394.73 g/mol
Exact Mass394.05
IUPAC Name5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C16H12ClF5N2O2/c1-24(8-9-3-2-4-10(5-9)16(20,21)22)14(25)12-6-11(17)7-23-13(12)26-15(18)19/h2-7,15H,8H2,1H3
InChIKeyLAZSUEKBCJXXFR-UHFFFAOYSA-N
XLogP4.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 171547573
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 171547538
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55854345
3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2766762
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide
CID 171547725
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 146085025
6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
CID 55875327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 171547604) is 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cnc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LAZSUEKBCJXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF5N2O2/c1-24(8-9-3-2-4-10(5-9)16(20,21)22)14(25)12-6-11(17)7-23-13(12)26-15(18)19/h2-7,15H,8H2,1H3.
What are the key properties of 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 394.73 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 171547604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).