2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide

C13H8ClF3N2O — CID 59618564

IUPAC2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccncc1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O/c14-10-3-1-2-9(13(15,16)17)11(10)12(20)19-8-4-6-18-7-5-8/h1-7H,(H,18,19,20)
InChIKeyYCAYMNPIFLEWKU-UHFFFAOYSA-N
MW300.67 g/mol
LogP4.01
Rot. Bonds2

About 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide

2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide (PubChem CID 59618564) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide
PubChem CID59618564
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccncc1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O/c14-10-3-1-2-9(13(15,16)17)11(10)12(20)19-8-4-6-18-7-5-8/h1-7H,(H,18,19,20)
InChIKeyYCAYMNPIFLEWKU-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)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 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide (CID 59618564) is 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide is O=C(Nc1ccncc1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide?
The InChIKey is YCAYMNPIFLEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-10-3-1-2-9(13(15,16)17)11(10)12(20)19-8-4-6-18-7-5-8/h1-7H,(H,18,19,20).
What are the key properties of 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide?
2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide has a molecular weight of 300.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-4-yl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 59618564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).