N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide

C15H12ClF3N2O — CID 2726835

IUPACN-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3N2O/c1-2-21(11-5-3-10(16)4-6-11)14(22)12-9-20-8-7-13(12)15(17,18)19/h3-9H,2H2,1H3
InChIKeyAAHHIZZANCFCIF-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.42
Rot. Bonds3

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

N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726835) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726835
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC NameN-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3N2O/c1-2-21(11-5-3-10(16)4-6-11)14(22)12-9-20-8-7-13(12)15(17,18)19/h3-9H,2H2,1H3
InChIKeyAAHHIZZANCFCIF-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726835) is N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AAHHIZZANCFCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-2-21(11-5-3-10(16)4-6-11)14(22)12-9-20-8-7-13(12)15(17,18)19/h3-9H,2H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 328.72 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).