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

C11H7Cl2F3N4O2 — CID 36580214

IUPAC3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C11H7Cl2F3N4O2/c1-22-7-5(12)2-4(3-6(7)13)8(21)17-10-18-9(19-20-10)11(14,15)16/h2-3H,1H3,(H2,17,18,19,20,21)
InChIKeyYUJUOWJBAQHFIT-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.39
Rot. Bonds3

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

3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 36580214) has the molecular formula C11H7Cl2F3N4O2 and a molecular weight of 355.10 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID36580214
Molecular FormulaC11H7Cl2F3N4O2
Molecular Weight355.10 g/mol
Exact Mass353.99
IUPAC Name3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C11H7Cl2F3N4O2/c1-22-7-5(12)2-4(3-6(7)13)8(21)17-10-18-9(19-20-10)11(14,15)16/h2-3H,1H3,(H2,17,18,19,20,21)
InChIKeyYUJUOWJBAQHFIT-UHFFFAOYSA-N
XLogP3.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 36580214) is 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is COc1c(Cl)cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is YUJUOWJBAQHFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N4O2/c1-22-7-5(12)2-4(3-6(7)13)8(21)17-10-18-9(19-20-10)11(14,15)16/h2-3H,1H3,(H2,17,18,19,20,21).
What are the key properties of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 355.10 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 36580214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).