N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide

C11H9F3N4O3 — CID 83090269

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N4O3/c1-20-10-16-9(17-18-10)15-8(19)6-2-4-7(5-3-6)21-11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyVQAFODZOBCYIOC-UHFFFAOYSA-N
MW302.21 g/mol
LogP1.96
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 83090269) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID83090269
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N4O3/c1-20-10-16-9(17-18-10)15-8(19)6-2-4-7(5-3-6)21-11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyVQAFODZOBCYIOC-UHFFFAOYSA-N
XLogP1.96
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzamide
CID 83086635
4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83090297
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
CID 83090123
N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 83092476
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 83092289
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 112631345
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 83097556

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 83090269) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide is COc1n[nH]c(NC(=O)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is VQAFODZOBCYIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c1-20-10-16-9(17-18-10)15-8(19)6-2-4-7(5-3-6)21-11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 302.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 83090269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).