2-(difluoromethoxy)-N-methylbenzamide;ethane

C11H15F2NO2 — CID 155585824

IUPAC2-(difluoromethoxy)-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C9H9F2NO2.C2H6/c1-12-8(13)6-4-2-3-5-7(6)14-9(10)11;1-2/h2-5,9H,1H3,(H,12,13);1-2H3
InChIKeyYJEKCSJEUOOLEC-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.67
Rot. Bonds3

About 2-(difluoromethoxy)-N-methylbenzamide;ethane

2-(difluoromethoxy)-N-methylbenzamide;ethane (PubChem CID 155585824) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-methylbenzamide;ethane.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-methylbenzamide;ethane
PubChem CID155585824
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-(difluoromethoxy)-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C9H9F2NO2.C2H6/c1-12-8(13)6-4-2-3-5-7(6)14-9(10)11;1-2/h2-5,9H,1H3,(H,12,13);1-2H3
InChIKeyYJEKCSJEUOOLEC-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 113274119
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
4-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 170995658
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-methylbenzamide;ethane?
The IUPAC name of 2-(difluoromethoxy)-N-methylbenzamide;ethane (CID 155585824) is 2-(difluoromethoxy)-N-methylbenzamide;ethane.
What is the SMILES notation for 2-(difluoromethoxy)-N-methylbenzamide;ethane?
The canonical SMILES for 2-(difluoromethoxy)-N-methylbenzamide;ethane is CC.CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-methylbenzamide;ethane?
The InChIKey is YJEKCSJEUOOLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2.C2H6/c1-12-8(13)6-4-2-3-5-7(6)14-9(10)11;1-2/h2-5,9H,1H3,(H,12,13);1-2H3.
What are the key properties of 2-(difluoromethoxy)-N-methylbenzamide;ethane?
2-(difluoromethoxy)-N-methylbenzamide;ethane has a molecular weight of 231.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-methylbenzamide;ethane is sourced from PubChem (CID 155585824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).