N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide

C12H15F2NO2 — CID 103515233

IUPACN-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)C(F)F
InChIInChI=1S/C12H15F2NO2/c1-17-8-7-15(12(16)11(13)14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyBJOAKGNSOGSBLD-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.93
Rot. Bonds6

About N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide

N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide (PubChem CID 103515233) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
PubChem CID103515233
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)C(F)F
InChIInChI=1S/C12H15F2NO2/c1-17-8-7-15(12(16)11(13)14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyBJOAKGNSOGSBLD-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide 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-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride
CID 119341269
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
2,2-difluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 103513987
1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 86987084

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide (CID 103515233) is N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccccc1)C(=O)C(F)F.
What is the InChIKey of N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is BJOAKGNSOGSBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-17-8-7-15(12(16)11(13)14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 243.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103515233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).