3-(difluoromethoxy)-N-propan-2-ylbenzamide

C11H13F2NO2 — CID 60634617

IUPAC3-(difluoromethoxy)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2NO2/c1-7(2)14-10(15)8-4-3-5-9(6-8)16-11(12)13/h3-7,11H,1-2H3,(H,14,15)
InChIKeyONPGOVYXSUXWKP-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.43
Rot. Bonds4

About 3-(difluoromethoxy)-N-propan-2-ylbenzamide

3-(difluoromethoxy)-N-propan-2-ylbenzamide (PubChem CID 60634617) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-propan-2-ylbenzamide
PubChem CID60634617
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-(difluoromethoxy)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2NO2/c1-7(2)14-10(15)8-4-3-5-9(6-8)16-11(12)13/h3-7,11H,1-2H3,(H,14,15)
InChIKeyONPGOVYXSUXWKP-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759
(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 103926956
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
CID 66615112
CID 66615112
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2537276
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-propan-2-ylbenzamide (CID 60634617) is 3-(difluoromethoxy)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-propan-2-ylbenzamide?
The InChIKey is ONPGOVYXSUXWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7(2)14-10(15)8-4-3-5-9(6-8)16-11(12)13/h3-7,11H,1-2H3,(H,14,15).
What are the key properties of 3-(difluoromethoxy)-N-propan-2-ylbenzamide?
3-(difluoromethoxy)-N-propan-2-ylbenzamide has a molecular weight of 229.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 60634617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).