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

C11H10F2N4O3 — CID 30867068

IUPAC4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ncn[nH]2)ccc1OC(F)F
InChIInChI=1S/C11H10F2N4O3/c1-19-8-4-6(2-3-7(8)20-10(12)13)9(18)16-11-14-5-15-17-11/h2-5,10H,1H3,(H2,14,15,16,17,18)
InChIKeyOWHYSRFVEUQBMU-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.67
Rot. Bonds5

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

4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 30867068) has the molecular formula C11H10F2N4O3 and a molecular weight of 284.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID30867068
Molecular FormulaC11H10F2N4O3
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ncn[nH]2)ccc1OC(F)F
InChIInChI=1S/C11H10F2N4O3/c1-19-8-4-6(2-3-7(8)20-10(12)13)9(18)16-11-14-5-15-17-11/h2-5,10H,1H3,(H2,14,15,16,17,18)
InChIKeyOWHYSRFVEUQBMU-UHFFFAOYSA-N
XLogP1.67
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 30867068) is 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1cc(C(=O)Nc2ncn[nH]2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is OWHYSRFVEUQBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O3/c1-19-8-4-6(2-3-7(8)20-10(12)13)9(18)16-11-14-5-15-17-11/h2-5,10H,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 284.22 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 30867068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).