2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride

C12H17ClF2N2O — CID 120831286

IUPAC2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1cc(F)ccc1F.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-8(15-2)7-16-12(17)6-9-5-10(13)3-4-11(9)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyRSBZXBFSTDLICE-UHFFFAOYSA-N
MW278.73 g/mol
LogP1.65
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride

2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 120831286) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
PubChem CID120831286
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1cc(F)ccc1F.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-8(15-2)7-16-12(17)6-9-5-10(13)3-4-11(9)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyRSBZXBFSTDLICE-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
1-(2,5-difluorophenyl)-3-(methylamino)butan-2-one
CID 116564926
N-(2-amino-2-methylpropyl)-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119627760
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
2-(4-ethylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120832655
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590
4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141306049

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride (CID 120831286) is 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride is CNC(C)CNC(=O)Cc1cc(F)ccc1F.Cl.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is RSBZXBFSTDLICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O.ClH/c1-8(15-2)7-16-12(17)6-9-5-10(13)3-4-11(9)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 278.73 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120831286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).