N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide

C15H12ClF3N2O — CID 166229323

IUPACN-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClF3N2O/c1-9(10-3-2-4-11(16)7-10)21-14(22)12-5-6-20-8-13(12)15(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyIOLUALYZSWVSSB-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.24
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide

N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 166229323) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID166229323
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClF3N2O/c1-9(10-3-2-4-11(16)7-10)21-14(22)12-5-6-20-8-13(12)15(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyIOLUALYZSWVSSB-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

5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[1-(3-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46518843
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30100320
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide (CID 166229323) is N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccncc1C(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is IOLUALYZSWVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-9(10-3-2-4-11(16)7-10)21-14(22)12-5-6-20-8-13(12)15(17,18)19/h2-9H,1H3,(H,21,22).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-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-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 166229323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).