N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C19H19ClN4O2 — CID 39890394

IUPACN-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(-n2cnnc2)c1
InChIInChI=1S/C19H19ClN4O2/c1-3-14-7-8-18(17(9-14)24-11-21-22-12-24)26-10-19(25)23-16-6-4-5-15(20)13(16)2/h4-9,11-12H,3,10H2,1-2H3,(H,23,25)
InChIKeyZYLZQGNEGSUJBZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.81
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 39890394) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID39890394
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(-n2cnnc2)c1
InChIInChI=1S/C19H19ClN4O2/c1-3-14-7-8-18(17(9-14)24-11-21-22-12-24)26-10-19(25)23-16-6-4-5-15(20)13(16)2/h4-9,11-12H,3,10H2,1-2H3,(H,23,25)
InChIKeyZYLZQGNEGSUJBZ-UHFFFAOYSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 39890394) is N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is CCc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(-n2cnnc2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is ZYLZQGNEGSUJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-3-14-7-8-18(17(9-14)24-11-21-22-12-24)26-10-19(25)23-16-6-4-5-15(20)13(16)2/h4-9,11-12H,3,10H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 370.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-ethyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 39890394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).