2-(1,1-difluoroethyl)-N-methylbenzamide

C10H11F2NO — CID 162577291

IUPAC2-(1,1-difluoroethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C(C)(F)F
InChIInChI=1S/C10H11F2NO/c1-10(11,12)8-6-4-3-5-7(8)9(14)13-2/h3-6H,1-2H3,(H,13,14)
InChIKeyHEHVFXYTIGVVRK-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.16
Rot. Bonds2

About 2-(1,1-difluoroethyl)-N-methylbenzamide

2-(1,1-difluoroethyl)-N-methylbenzamide (PubChem CID 162577291) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-methylbenzamide
PubChem CID162577291
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-(1,1-difluoroethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C(C)(F)F
InChIInChI=1S/C10H11F2NO/c1-10(11,12)8-6-4-3-5-7(8)9(14)13-2/h3-6H,1-2H3,(H,13,14)
InChIKeyHEHVFXYTIGVVRK-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,1-difluoroethyl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N,2-dimethyl-3-(trifluoromethyl)benzamide
CID 67627642
2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone
CID 84668706
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
N,2-dimethylbenzamide;trifluoroborane
CID 174957672
2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 116566489
N-[3-methyl-1-(methylamino)-3-[2-methyl-4-(methylamino)-4-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]butan-2-yl]oxy-1-oxobutan-2-yl]-2-(trifluoromethyl)benzamide
CID 142762376
N-methyl-2-(prop-2-ynylamino)benzamide
CID 130634693
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-methylbenzamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-methylbenzamide (CID 162577291) is 2-(1,1-difluoroethyl)-N-methylbenzamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-methylbenzamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-methylbenzamide is CNC(=O)c1ccccc1C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-methylbenzamide?
The InChIKey is HEHVFXYTIGVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-10(11,12)8-6-4-3-5-7(8)9(14)13-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(1,1-difluoroethyl)-N-methylbenzamide?
2-(1,1-difluoroethyl)-N-methylbenzamide has a molecular weight of 199.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-methylbenzamide is sourced from PubChem (CID 162577291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).