2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide

C18H15ClN4O3 — CID 17417004

IUPAC2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1
InChIInChI=1S/C18H15ClN4O3/c1-12(24)13-3-2-4-15(7-13)26-9-18(25)22-16-8-14(19)5-6-17(16)23-11-20-10-21-23/h2-8,10-11H,9H2,1H3,(H,22,25)
InChIKeyRERBCQMGMFMJFB-UHFFFAOYSA-N
MW370.80 g/mol
LogP3.14
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide

2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 17417004) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID17417004
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1
InChIInChI=1S/C18H15ClN4O3/c1-12(24)13-3-2-4-15(7-13)26-9-18(25)22-16-8-14(19)5-6-17(16)23-11-20-10-21-23/h2-8,10-11H,9H2,1H3,(H,22,25)
InChIKeyRERBCQMGMFMJFB-UHFFFAOYSA-N
XLogP3.14
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 17417004) is 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is CC(=O)c1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is RERBCQMGMFMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-12(24)13-3-2-4-15(7-13)26-9-18(25)22-16-8-14(19)5-6-17(16)23-11-20-10-21-23/h2-8,10-11H,9H2,1H3,(H,22,25).
What are the key properties of 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 370.80 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 17417004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).