3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide

C18H13F5N4O2 — CID 143921078

IUPAC3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
SMILESCn1c(COc2c(F)cc(C(N)=O)cc2F)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F5N4O2/c1-27-14(8-29-15-12(19)6-9(16(24)28)7-13(15)20)25-26-17(27)10-4-2-3-5-11(10)18(21,22)23/h2-7H,8H2,1H3,(H2,24,28)
InChIKeyULTYHWQNRGIZOO-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.46
Rot. Bonds5

About 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide

3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide (PubChem CID 143921078) has the molecular formula C18H13F5N4O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
PubChem CID143921078
Molecular FormulaC18H13F5N4O2
Molecular Weight412.32 g/mol
Exact Mass412.10
IUPAC Name3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
SMILESCn1c(COc2c(F)cc(C(N)=O)cc2F)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F5N4O2/c1-27-14(8-29-15-12(19)6-9(16(24)28)7-13(15)20)25-26-17(27)10-4-2-3-5-11(10)18(21,22)23/h2-7H,8H2,1H3,(H2,24,28)
InChIKeyULTYHWQNRGIZOO-UHFFFAOYSA-N
XLogP3.46
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
CID 143921086
[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanamine
CID 112593887
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-difluorobenzoic acid
CID 79888084
2-fluoro-4-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide
CID 58243982
3-(4,6-dichloronaphthalen-1-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 90004887
3-(1,4-dichloronaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11582570
5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 58243598
4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carboxamide
CID 20755040
5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzoic acid
CID 58244031
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3,5-difluorobenzoic acid
CID 79888562
3-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 58244184
3-(3-chloropropylsulfanyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 91755519

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
The IUPAC name of 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide (CID 143921078) is 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide.
What is the SMILES notation for 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
The canonical SMILES for 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide is Cn1c(COc2c(F)cc(C(N)=O)cc2F)nnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
The InChIKey is ULTYHWQNRGIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N4O2/c1-27-14(8-29-15-12(19)6-9(16(24)28)7-13(15)20)25-26-17(27)10-4-2-3-5-11(10)18(21,22)23/h2-7H,8H2,1H3,(H2,24,28).
What are the key properties of 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide has a molecular weight of 412.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide is sourced from PubChem (CID 143921078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).