3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride

C14H21ClF2N2O — CID 120501786

IUPAC3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)N(Cc1ccccc1)CC(F)F.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-10(11(2)17)14(19)18(9-13(15)16)8-12-6-4-3-5-7-12;/h3-7,10-11,13H,8-9,17H2,1-2H3;1H
InChIKeyKKKGXBZQSYVVPV-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.69
Rot. Bonds6

About 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride

3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride (PubChem CID 120501786) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride
PubChem CID120501786
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC Name3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)N(Cc1ccccc1)CC(F)F.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-10(11(2)17)14(19)18(9-13(15)16)8-12-6-4-3-5-7-12;/h3-7,10-11,13H,8-9,17H2,1-2H3;1H
InChIKeyKKKGXBZQSYVVPV-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807971
(2R)-N-[(2R)-2-aminopropyl]-N-benzyl-2-bromo-3-methylbutanamide;dihydrochloride
CID 167500740
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
CID 119807964
[(2S)-2-aminopropyl]-benzylcarbamic acid;2,2,2-trifluoroacetic acid
CID 138610897
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119342483
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
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
N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride (CID 120501786) is 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)N(Cc1ccccc1)CC(F)F.Cl.
What is the InChIKey of 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride?
The InChIKey is KKKGXBZQSYVVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c1-10(11(2)17)14(19)18(9-13(15)16)8-12-6-4-3-5-7-12;/h3-7,10-11,13H,8-9,17H2,1-2H3;1H.
What are the key properties of 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride?
3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(2,2-difluoroethyl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).