N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide

C15H13F3N2O2 — CID 893036

IUPACN-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1cccnc1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)10-22-9-11-3-5-12(6-4-11)14(21)20-13-2-1-7-19-8-13/h1-8H,9-10H2,(H,20,21)
InChIKeyJHTPUCDQDKQOKN-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.41
Rot. Bonds5

About N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 893036) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID893036
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1cccnc1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)10-22-9-11-3-5-12(6-4-11)14(21)20-13-2-1-7-19-8-13/h1-8H,9-10H2,(H,20,21)
InChIKeyJHTPUCDQDKQOKN-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 893036) is N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(Nc1cccnc1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is JHTPUCDQDKQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)10-22-9-11-3-5-12(6-4-11)14(21)20-13-2-1-7-19-8-13/h1-8H,9-10H2,(H,20,21).
What are the key properties of N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 310.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 893036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).