N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide

C18H15F3N4O3 — CID 7614437

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1OC
InChIInChI=1S/C18H15F3N4O3/c1-27-13-7-6-10(9-14(13)28-2)15-22-17(25-24-15)23-16(26)11-4-3-5-12(8-11)18(19,20)21/h3-9H,1-2H3,(H2,22,23,24,25,26)
InChIKeyLHYNADYFMSDJGZ-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.76
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide

N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 7614437) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID7614437
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1OC
InChIInChI=1S/C18H15F3N4O3/c1-27-13-7-6-10(9-14(13)28-2)15-22-17(25-24-15)23-16(26)11-4-3-5-12(8-11)18(19,20)21/h3-9H,1-2H3,(H2,22,23,24,25,26)
InChIKeyLHYNADYFMSDJGZ-UHFFFAOYSA-N
XLogP3.76
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 155536159
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-[4-[2-(3,4-dimethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 44532956
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 146051450
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide (CID 7614437) is N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide is COc1ccc(-c2nc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is LHYNADYFMSDJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-27-13-7-6-10(9-14(13)28-2)15-22-17(25-24-15)23-16(26)11-4-3-5-12(8-11)18(19,20)21/h3-9H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 392.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 7614437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).