N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride

C12H17ClF2N2O2 — CID 119768192

IUPACN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C)c(OCC(F)F)c1.Cl
InChIInChI=1S/C12H16F2N2O2.ClH/c1-8-3-4-9(16-12(17)6-15-2)5-10(8)18-7-11(13)14;/h3-5,11,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyOSMIUMMIXFBYBV-UHFFFAOYSA-N
MW294.73 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119768192) has the molecular formula C12H17ClF2N2O2 and a molecular weight of 294.73 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119768192
Molecular FormulaC12H17ClF2N2O2
Molecular Weight294.73 g/mol
Exact Mass294.09
IUPAC NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C)c(OCC(F)F)c1.Cl
InChIInChI=1S/C12H16F2N2O2.ClH/c1-8-3-4-9(16-12(17)6-15-2)5-10(8)18-7-11(13)14;/h3-5,11,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyOSMIUMMIXFBYBV-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119768212
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976913
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
CID 119314646
2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 122157649
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630165
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119768211
1-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122078854
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95326792

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride (CID 119768192) is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1ccc(C)c(OCC(F)F)c1.Cl.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is OSMIUMMIXFBYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2.ClH/c1-8-3-4-9(16-12(17)6-15-2)5-10(8)18-7-11(13)14;/h3-5,11,15H,6-7H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 294.73 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119768192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).