3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide

C12H15F2NO4 — CID 60653229

IUPAC3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
SMILESCOC(CNC(=O)c1cccc(OC(F)F)c1)OC
InChIInChI=1S/C12H15F2NO4/c1-17-10(18-2)7-15-11(16)8-4-3-5-9(6-8)19-12(13)14/h3-6,10,12H,7H2,1-2H3,(H,15,16)
InChIKeyCOUBGPDSYDIBJG-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.64
Rot. Bonds7

About 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide

3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide (PubChem CID 60653229) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
PubChem CID60653229
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC Name3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
SMILESCOC(CNC(=O)c1cccc(OC(F)F)c1)OC
InChIInChI=1S/C12H15F2NO4/c1-17-10(18-2)7-15-11(16)8-4-3-5-9(6-8)19-12(13)14/h3-6,10,12H,7H2,1-2H3,(H,15,16)
InChIKeyCOUBGPDSYDIBJG-UHFFFAOYSA-N
XLogP1.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide (CID 60653229) is 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide is COC(CNC(=O)c1cccc(OC(F)F)c1)OC.
What is the InChIKey of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide?
The InChIKey is COUBGPDSYDIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-17-10(18-2)7-15-11(16)8-4-3-5-9(6-8)19-12(13)14/h3-6,10,12H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide?
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide has a molecular weight of 275.25 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide is sourced from PubChem (CID 60653229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).