2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide

C17H14F2N4O3 — CID 156565644

IUPAC2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C17H14F2N4O3/c18-17(19)26-13-8-4-2-6-11(13)16(25)20-9-14-21-15(23-22-14)10-5-1-3-7-12(10)24/h1-8,17,24H,9H2,(H,20,25)(H,21,22,23)
InChIKeyPNITZZNJNUNLLM-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.71
Rot. Bonds6

About 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide

2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 156565644) has the molecular formula C17H14F2N4O3 and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID156565644
Molecular FormulaC17H14F2N4O3
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Name2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C17H14F2N4O3/c18-17(19)26-13-8-4-2-6-11(13)16(25)20-9-14-21-15(23-22-14)10-5-1-3-7-12(10)24/h1-8,17,24H,9H2,(H,20,25)(H,21,22,23)
InChIKeyPNITZZNJNUNLLM-UHFFFAOYSA-N
XLogP2.71
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 156565644) is 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is O=C(NCc1nc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is PNITZZNJNUNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3/c18-17(19)26-13-8-4-2-6-11(13)16(25)20-9-14-21-15(23-22-14)10-5-1-3-7-12(10)24/h1-8,17,24H,9H2,(H,20,25)(H,21,22,23).
What are the key properties of 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide has a molecular weight of 360.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 156565644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).