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

C15H18Cl2N4O2 — CID 72873047

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1Cl)c1nncn1C(C)C
InChIInChI=1S/C15H18Cl2N4O2/c1-9(2)21-8-18-20-15(21)10(3)19-14(22)7-23-13-5-4-11(16)6-12(13)17/h4-6,8-10H,7H2,1-3H3,(H,19,22)
InChIKeyCJDTVOKCEASAIY-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.42
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 72873047) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID72873047
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1Cl)c1nncn1C(C)C
InChIInChI=1S/C15H18Cl2N4O2/c1-9(2)21-8-18-20-15(21)10(3)19-14(22)7-23-13-5-4-11(16)6-12(13)17/h4-6,8-10H,7H2,1-3H3,(H,19,22)
InChIKeyCJDTVOKCEASAIY-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 72873047) is 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(Cl)cc1Cl)c1nncn1C(C)C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is CJDTVOKCEASAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2/c1-9(2)21-8-18-20-15(21)10(3)19-14(22)7-23-13-5-4-11(16)6-12(13)17/h4-6,8-10H,7H2,1-3H3,(H,19,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 357.24 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72873047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).