2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

C18H12F3N5O2 — CID 4805508

IUPAC2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)13-3-6-16(26-11-23-10-24-26)15(7-13)25-17(27)9-28-14-4-1-12(8-22)2-5-14/h1-7,10-11H,9H2,(H,25,27)
InChIKeyQNEKWPSIQMVCKH-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.18
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 4805508) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID4805508
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)13-3-6-16(26-11-23-10-24-26)15(7-13)25-17(27)9-28-14-4-1-12(8-22)2-5-14/h1-7,10-11H,9H2,(H,25,27)
InChIKeyQNEKWPSIQMVCKH-UHFFFAOYSA-N
XLogP3.18
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 4805508) is 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is N#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QNEKWPSIQMVCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c19-18(20,21)13-3-6-16(26-11-23-10-24-26)15(7-13)25-17(27)9-28-14-4-1-12(8-22)2-5-14/h1-7,10-11H,9H2,(H,25,27).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 387.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4805508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).