2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

C15H26F2N2O2 — CID 166244346

IUPAC2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCN(C)CC(C)(O)CNC(=O)CC12CCCCC1C2(F)F
InChIInChI=1S/C15H26F2N2O2/c1-13(21,10-19(2)3)9-18-12(20)8-14-7-5-4-6-11(14)15(14,16)17/h11,21H,4-10H2,1-3H3,(H,18,20)
InChIKeyZGLKBIZFNCTEQP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.63
Rot. Bonds6

About 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (PubChem CID 166244346) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
PubChem CID166244346
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCN(C)CC(C)(O)CNC(=O)CC12CCCCC1C2(F)F
InChIInChI=1S/C15H26F2N2O2/c1-13(21,10-19(2)3)9-18-12(20)8-14-7-5-4-6-11(14)15(14,16)17/h11,21H,4-10H2,1-3H3,(H,18,20)
InChIKeyZGLKBIZFNCTEQP-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The IUPAC name of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (CID 166244346) is 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The canonical SMILES for 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is CN(C)CC(C)(O)CNC(=O)CC12CCCCC1C2(F)F.
What is the InChIKey of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The InChIKey is ZGLKBIZFNCTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-13(21,10-19(2)3)9-18-12(20)8-14-7-5-4-6-11(14)15(14,16)17/h11,21H,4-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is sourced from PubChem (CID 166244346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).