3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

C18H15F3N4O4 — CID 131801162

IUPAC3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC
InChIInChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
InChIKeyYCDOKDADFOBKIL-UHFFFAOYSA-N
MW408.34 g/mol
LogP3.44
Rot. Bonds6

About 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide (PubChem CID 131801162) has the molecular formula C18H15F3N4O4 and a molecular weight of 408.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
PubChem CID131801162
Molecular FormulaC18H15F3N4O4
Molecular Weight408.34 g/mol
Exact Mass408.10
IUPAC Name3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC
InChIInChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
InChIKeyYCDOKDADFOBKIL-UHFFFAOYSA-N
XLogP3.44
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-(cyclopropylmethoxy)-3-methoxybenzamide
CID 137321168
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 24686711
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 24980286
4-ethoxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145953031
3-methoxy-4-propan-2-yloxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145955650
3-methoxy-4-propoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145958691
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-cyclopropoxy-3-methoxybenzamide
CID 145958897
4-cyclobutyloxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 168283516
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4,5-dimethoxy-2-tetrazol-1-yl-benzamide
CID 653097
N-(3,4-dimethoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CID 1473802
N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 18084474

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide (CID 131801162) is 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is YCDOKDADFOBKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26).
What are the key properties of 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 408.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 131801162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).