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

C16H11Cl2F3N4O — CID 16567590

IUPAC2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C16H11Cl2F3N4O/c17-11-3-1-9(2-4-11)5-14(26)22-7-13-23-24-15-12(18)6-10(8-25(13)15)16(19,20)21/h1-4,6,8H,5,7H2,(H,22,26)
InChIKeyAVQZKXNVUYIBBF-UHFFFAOYSA-N
MW403.19 g/mol
LogP3.91
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 16567590) has the molecular formula C16H11Cl2F3N4O and a molecular weight of 403.19 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID16567590
Molecular FormulaC16H11Cl2F3N4O
Molecular Weight403.19 g/mol
Exact Mass402.03
IUPAC Name2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C16H11Cl2F3N4O/c17-11-3-1-9(2-4-11)5-14(26)22-7-13-23-24-15-12(18)6-10(8-25(13)15)16(19,20)21/h1-4,6,8H,5,7H2,(H,22,26)
InChIKeyAVQZKXNVUYIBBF-UHFFFAOYSA-N
XLogP3.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 16567590) is 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is AVQZKXNVUYIBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N4O/c17-11-3-1-9(2-4-11)5-14(26)22-7-13-23-24-15-12(18)6-10(8-25(13)15)16(19,20)21/h1-4,6,8H,5,7H2,(H,22,26).
What are the key properties of 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 403.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 16567590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).