2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C15H12ClF3N2O — CID 78778446

IUPAC2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O/c1-9(10-4-2-5-11(8-10)15(17,18)19)21-14(22)12-6-3-7-20-13(12)16/h2-9H,1H3,(H,21,22)
InChIKeyJKPQIEUNMNFNSB-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.24
Rot. Bonds3

About 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 78778446) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID78778446
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O/c1-9(10-4-2-5-11(8-10)15(17,18)19)21-14(22)12-6-3-7-20-13(12)16/h2-9H,1H3,(H,21,22)
InChIKeyJKPQIEUNMNFNSB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 96508313
2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
CID 162621094
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 78778446) is 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is JKPQIEUNMNFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-9(10-4-2-5-11(8-10)15(17,18)19)21-14(22)12-6-3-7-20-13(12)16/h2-9H,1H3,(H,21,22).
What are the key properties of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-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 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 78778446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).