4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide

C19H17F3N4O2 — CID 58244238

IUPAC4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide
SMILESCn1c(-c2ccc(C(N)=O)cc2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C19H17F3N4O2/c1-19(2,28-15-13(21)8-12(20)9-14(15)22)18-25-24-17(26(18)3)11-6-4-10(5-7-11)16(23)27/h4-9H,1-3H3,(H2,23,27)
InChIKeyFMJLUBOYKAEUHP-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.31
Rot. Bonds5

About 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide

4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 58244238) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide
PubChem CID58244238
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide
SMILESCn1c(-c2ccc(C(N)=O)cc2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C19H17F3N4O2/c1-19(2,28-15-13(21)8-12(20)9-14(15)22)18-25-24-17(26(18)3)11-6-4-10(5-7-11)16(23)27/h4-9H,1-3H3,(H2,23,27)
InChIKeyFMJLUBOYKAEUHP-UHFFFAOYSA-N
XLogP3.31
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide with MolForge

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Related Compounds

3-(chloromethyl)-4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide
CID 123744641
5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-2,3-dihydroisoindol-1-one
CID 58243661
4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzoic acid
CID 58244023
3-(4-chloro-2-methoxyphenyl)-4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazole
CID 58243839
4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 70244515
2-[4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]butanoic acid;hydrochloride
CID 87241306
5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-2H-benzotriazole
CID 58243713
5-[5-[2-(2,4-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-2,3-dihydroisoindol-1-one
CID 58244205
3-(2,4-difluorophenyl)-5-[2-(4-fluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazole
CID 58243544
4-[[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 2637150
4-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-yl]aniline
CID 70248253
2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide
CID 58243616

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide (CID 58244238) is 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide is Cn1c(-c2ccc(C(N)=O)cc2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F.
What is the InChIKey of 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is FMJLUBOYKAEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-19(2,28-15-13(21)8-12(20)9-14(15)22)18-25-24-17(26(18)3)11-6-4-10(5-7-11)16(23)27/h4-9H,1-3H3,(H2,23,27).
What are the key properties of 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide?
4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 390.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 58244238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).