2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride

C12H17ClF2N2O — CID 91645374

IUPAC2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCC(C)CNC(=O)c1cccc(F)c1F.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-8(6-15-2)7-16-12(17)9-4-3-5-10(13)11(9)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyACPNXCFOHFLWAU-UHFFFAOYSA-N
MW278.73 g/mol
LogP1.97
Rot. Bonds5

About 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride

2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 91645374) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
PubChem CID91645374
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCC(C)CNC(=O)c1cccc(F)c1F.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-8(6-15-2)7-16-12(17)9-4-3-5-10(13)11(9)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyACPNXCFOHFLWAU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113282528
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
CID 113262853

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride (CID 91645374) is 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride is CNCC(C)CNC(=O)c1cccc(F)c1F.Cl.
What is the InChIKey of 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is ACPNXCFOHFLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O.ClH/c1-8(6-15-2)7-16-12(17)9-4-3-5-10(13)11(9)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H.
What are the key properties of 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride?
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 278.73 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 91645374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).