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

C18H16F2N4O3 — CID 163534666

IUPAC2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCc1cccc(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1O
InChIInChI=1S/C18H16F2N4O3/c1-10-5-4-7-12(15(10)25)16-22-14(23-24-16)9-21-17(26)11-6-2-3-8-13(11)27-18(19)20/h2-8,18,25H,9H2,1H3,(H,21,26)(H,22,23,24)
InChIKeySDYWYPMBTDGHMM-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.02
Rot. Bonds6

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

2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 163534666) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID163534666
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCc1cccc(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1O
InChIInChI=1S/C18H16F2N4O3/c1-10-5-4-7-12(15(10)25)16-22-14(23-24-16)9-21-17(26)11-6-2-3-8-13(11)27-18(19)20/h2-8,18,25H,9H2,1H3,(H,21,26)(H,22,23,24)
InChIKeySDYWYPMBTDGHMM-UHFFFAOYSA-N
XLogP3.02
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 163534666) is 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is Cc1cccc(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1O.
What is the InChIKey of 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is SDYWYPMBTDGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-10-5-4-7-12(15(10)25)16-22-14(23-24-16)9-21-17(26)11-6-2-3-8-13(11)27-18(19)20/h2-8,18,25H,9H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of 2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide has a molecular weight of 374.35 g/mol, XLogP of 3.02, 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-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 163534666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).