N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C15H12ClF3N2O — CID 171677155

IUPACN-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O/c1-9(10-5-2-3-6-11(10)16)20-14(22)12-7-4-8-13(21-12)15(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyFNRQTBCILMTSSS-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.24
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 171677155) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID171677155
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O/c1-9(10-5-2-3-6-11(10)16)20-14(22)12-7-4-8-13(21-12)15(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyFNRQTBCILMTSSS-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
CID 65173391
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
1-(2-chlorophenyl)-N-(1-naphthalen-1-ylethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 76546077
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62175178
2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
CID 115678186
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 171677155) is N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FNRQTBCILMTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-9(10-5-2-3-6-11(10)16)20-14(22)12-7-4-8-13(21-12)15(17,18)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 328.72 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 171677155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).