2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C16H11Cl2F3N4O2 — CID 16571755

IUPAC2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C16H11Cl2F3N4O2/c17-10-3-1-2-4-12(10)27-8-14(26)22-6-13-23-24-15-11(18)5-9(7-25(13)15)16(19,20)21/h1-5,7H,6,8H2,(H,22,26)
InChIKeyDTPSQBVTALTIBW-UHFFFAOYSA-N
MW419.19 g/mol
LogP3.75
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 16571755) has the molecular formula C16H11Cl2F3N4O2 and a molecular weight of 419.19 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID16571755
Molecular FormulaC16H11Cl2F3N4O2
Molecular Weight419.19 g/mol
Exact Mass418.02
IUPAC Name2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C16H11Cl2F3N4O2/c17-10-3-1-2-4-12(10)27-8-14(26)22-6-13-23-24-15-11(18)5-9(7-25(13)15)16(19,20)21/h1-5,7H,6,8H2,(H,22,26)
InChIKeyDTPSQBVTALTIBW-UHFFFAOYSA-N
XLogP3.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 16567590
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
CID 51936340
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenoxybenzamide
CID 16567587
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide
CID 16575401
(2R)-2-amino-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide;hydrochloride
CID 119274071
3-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005355
2-(2-nitrophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 51260119
2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
CID 118497734
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
3-[[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]methyl]naphthalen-2-ol
CID 166392142
8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870114

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 16571755) is 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(COc1ccccc1Cl)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is DTPSQBVTALTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N4O2/c17-10-3-1-2-4-12(10)27-8-14(26)22-6-13-23-24-15-11(18)5-9(7-25(13)15)16(19,20)21/h1-5,7H,6,8H2,(H,22,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 419.19 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 16571755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).