2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C22H19ClN4O2 — CID 134030744

IUPAC2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nnc2ccccn12
InChIInChI=1S/C22H19ClN4O2/c1-15(22-26-25-20-9-5-6-12-27(20)22)24-21(28)14-29-19-11-10-17(13-18(19)23)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,24,28)
InChIKeyBYNMGWUAOJTBRN-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.31
Rot. Bonds6

About 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 134030744) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID134030744
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nnc2ccccn12
InChIInChI=1S/C22H19ClN4O2/c1-15(22-26-25-20-9-5-6-12-27(20)22)24-21(28)14-29-19-11-10-17(13-18(19)23)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,24,28)
InChIKeyBYNMGWUAOJTBRN-UHFFFAOYSA-N
XLogP4.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]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-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
2-(4-methylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51247774
2-naphthalen-2-yloxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51247700
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 47013091
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030824
2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51238001
3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51278349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 134030744) is 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nnc2ccccn12.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is BYNMGWUAOJTBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-15(22-26-25-20-9-5-6-12-27(20)22)24-21(28)14-29-19-11-10-17(13-18(19)23)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,24,28).
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 134030744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).