N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide

C12H16F2N2O — CID 119807964

IUPACN-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C12H16F2N2O/c1-15-7-12(17)16(9-11(13)14)8-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3
InChIKeyQYIJOGJAEXQXJW-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.50
Rot. Bonds6

About N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide

N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide (PubChem CID 119807964) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
PubChem CID119807964
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C12H16F2N2O/c1-15-7-12(17)16(9-11(13)14)8-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3
InChIKeyQYIJOGJAEXQXJW-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807971
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
CID 119783026
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120705127
3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride
CID 120501786
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
1-benzyl-1-(2,2-difluoroethyl)-3-(1-pyridin-4-ylethyl)urea
CID 71919619
4-[benzyl(2,2-difluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673939
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide?
The IUPAC name of N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide (CID 119807964) is N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide?
The canonical SMILES for N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide is CNCC(=O)N(Cc1ccccc1)CC(F)F.
What is the InChIKey of N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide?
The InChIKey is QYIJOGJAEXQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-15-7-12(17)16(9-11(13)14)8-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3.
What are the key properties of N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide?
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide has a molecular weight of 242.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide is sourced from PubChem (CID 119807964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).