3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide

C12H12F5NO2 — CID 86833598

IUPAC3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F5NO2/c1-18(6-5-12(15,16)17)10(19)8-3-2-4-9(7-8)20-11(13)14/h2-4,7,11H,5-6H2,1H3
InChIKeyKSHOZSPNSWMJKE-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.31
Rot. Bonds5

About 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide

3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 86833598) has the molecular formula C12H12F5NO2 and a molecular weight of 297.22 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID86833598
Molecular FormulaC12H12F5NO2
Molecular Weight297.22 g/mol
Exact Mass297.08
IUPAC Name3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F5NO2/c1-18(6-5-12(15,16)17)10(19)8-3-2-4-9(7-8)20-11(13)14/h2-4,7,11H,5-6H2,1H3
InChIKeyKSHOZSPNSWMJKE-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
1-[3-(difluoromethoxy)phenyl]-5,5,5-trifluoropentan-1-one
CID 115792223
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814
3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611
3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833486
3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735708

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (CID 86833598) is 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is CN(CCC(F)(F)F)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is KSHOZSPNSWMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO2/c1-18(6-5-12(15,16)17)10(19)8-3-2-4-9(7-8)20-11(13)14/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 297.22 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 86833598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).