3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride

C12H17ClF2N2O — CID 119950674

IUPAC3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCN(CC(F)F)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-16(8-11(13)14)12(17)7-10(15)9-5-3-2-4-6-9;/h2-6,10-11H,7-8,15H2,1H3;1H
InChIKeyNZDIWSUSJYUSRE-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.22
Rot. Bonds5

About 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119950674) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119950674
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCN(CC(F)F)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-16(8-11(13)14)12(17)7-10(15)9-5-3-2-4-6-9;/h2-6,10-11H,7-8,15H2,1H3;1H
InChIKeyNZDIWSUSJYUSRE-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 119951069
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119950359
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119949697

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride (CID 119950674) is 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride is CN(CC(F)F)C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is NZDIWSUSJYUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O.ClH/c1-16(8-11(13)14)12(17)7-10(15)9-5-3-2-4-6-9;/h2-6,10-11H,7-8,15H2,1H3;1H.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 278.73 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).