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

C11H10F2N4O3 — CID 2312302

IUPAC4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nn2cnnc2)ccc1OC(F)F
InChIInChI=1S/C11H10F2N4O3/c1-19-9-4-7(2-3-8(9)20-11(12)13)10(18)16-17-5-14-15-6-17/h2-6,11H,1H3,(H,16,18)
InChIKeyGEGSXHPCMDMHFS-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.27
Rot. Bonds5

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

4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2312302) has the molecular formula C11H10F2N4O3 and a molecular weight of 284.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2312302
Molecular FormulaC11H10F2N4O3
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nn2cnnc2)ccc1OC(F)F
InChIInChI=1S/C11H10F2N4O3/c1-19-9-4-7(2-3-8(9)20-11(12)13)10(18)16-17-5-14-15-6-17/h2-6,11H,1H3,(H,16,18)
InChIKeyGEGSXHPCMDMHFS-UHFFFAOYSA-N
XLogP1.27
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3156035
4-butoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 660181
3-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814685
3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 750212
Stk182061
CID 912328
3,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 4300538
3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 2315619
4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 669400
[4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate
CID 743761
4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide
CID 4625974
4-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814682
(5-Amino-1h-1,2,4-Triazol-1-Yl)(4-Methoxyphenyl)methanone
CID 118796828

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 2312302) is 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide is COc1cc(C(=O)Nn2cnnc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is GEGSXHPCMDMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O3/c1-19-9-4-7(2-3-8(9)20-11(12)13)10(18)16-17-5-14-15-6-17/h2-6,11H,1H3,(H,16,18).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 284.22 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2312302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).