2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

C13H14Cl2N4O2 — CID 71995156

IUPAC2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCC(Cn1cncn1)NC(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl2N4O2/c1-9(5-19-8-16-7-17-19)18-13(20)6-21-12-3-10(14)2-11(15)4-12/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyWLHYADQVKKJQOC-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.17
Rot. Bonds6

About 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (PubChem CID 71995156) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
PubChem CID71995156
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCC(Cn1cncn1)NC(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl2N4O2/c1-9(5-19-8-16-7-17-19)18-13(20)6-21-12-3-10(14)2-11(15)4-12/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyWLHYADQVKKJQOC-UHFFFAOYSA-N
XLogP2.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 120506340
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
4-(3-aminopropoxy)-3-chloro-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 126427355
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 91842029
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
CID 134024169
2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71994849

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (CID 71995156) is 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is CC(Cn1cncn1)NC(=O)COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The InChIKey is WLHYADQVKKJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-9(5-19-8-16-7-17-19)18-13(20)6-21-12-3-10(14)2-11(15)4-12/h2-4,7-9H,5-6H2,1H3,(H,18,20).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide has a molecular weight of 329.19 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 71995156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).