N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H21ClF2N2O — CID 119807971

IUPACN-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(Cc1ccccc1)CC(F)F.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-11(8-17-2)14(19)18(10-13(15)16)9-12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10H2,1-2H3;1H
InChIKeyZQRKTEPJOYNWEO-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.56
Rot. Bonds7

About N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119807971) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119807971
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC NameN-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(Cc1ccccc1)CC(F)F.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-11(8-17-2)14(19)18(10-13(15)16)9-12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10H2,1-2H3;1H
InChIKeyZQRKTEPJOYNWEO-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride
CID 120501786
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
CID 119807964
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
CID 119821290
N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
CID 119670324
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
1-benzyl-1-(2,2-difluoroethyl)-3-(1-pyridin-4-ylethyl)urea
CID 71919619
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119807971) is N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)N(Cc1ccccc1)CC(F)F.Cl.
What is the InChIKey of N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is ZQRKTEPJOYNWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c1-11(8-17-2)14(19)18(10-13(15)16)9-12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10H2,1-2H3;1H.
What are the key properties of N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.56, 7 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-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119807971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).