N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C18H17ClN4O2 — CID 39890396

IUPACN-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1
InChIInChI=1S/C18H17ClN4O2/c1-2-13-3-8-17(16(9-13)23-11-20-21-12-23)25-10-18(24)22-15-6-4-14(19)5-7-15/h3-9,11-12H,2,10H2,1H3,(H,22,24)
InChIKeyCIBNRLIRHDWSTL-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.50
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 39890396) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID39890396
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1
InChIInChI=1S/C18H17ClN4O2/c1-2-13-3-8-17(16(9-13)23-11-20-21-12-23)25-10-18(24)22-15-6-4-14(19)5-7-15/h3-9,11-12H,2,10H2,1H3,(H,22,24)
InChIKeyCIBNRLIRHDWSTL-UHFFFAOYSA-N
XLogP3.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 39890396) is N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is CIBNRLIRHDWSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-2-13-3-8-17(16(9-13)23-11-20-21-12-23)25-10-18(24)22-15-6-4-14(19)5-7-15/h3-9,11-12H,2,10H2,1H3,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 39890396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).