2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide

C17H22Cl2N2O — CID 3074823

IUPAC2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(C[C@@H]1CCCN2CCCC[C@H]12)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H22Cl2N2O/c18-13-6-3-7-14(19)17(13)20-16(22)11-12-5-4-10-21-9-2-1-8-15(12)21/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,20,22)/t12-,15+/m0/s1
InChIKeyRYSWJCBXINDJHG-SWLSCSKDSA-N
MW341.28 g/mol
LogP4.59
Rot. Bonds3

About 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide

2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 3074823) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
PubChem CID3074823
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(C[C@@H]1CCCN2CCCC[C@H]12)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H22Cl2N2O/c18-13-6-3-7-14(19)17(13)20-16(22)11-12-5-4-10-21-9-2-1-8-15(12)21/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,20,22)/t12-,15+/m0/s1
InChIKeyRYSWJCBXINDJHG-SWLSCSKDSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide with MolForge

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Related Compounds

2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
CID 131186064
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide
CID 24845914
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
N-[2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]ethyl]-2-chlorobenzamide
CID 46983350
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(2,6-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952397
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,6-dichlorophenyl)acetamide
CID 11940729
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-phenothiazin-10-ylethanone
CID 54587102
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-chloro-1-methylindole-2-carboxamide
CID 125338467
3-(azepan-1-yl)-N-(2,6-dichlorophenyl)-3-oxopropanamide
CID 108952754

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide (CID 3074823) is 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide is O=C(C[C@@H]1CCCN2CCCC[C@H]12)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is RYSWJCBXINDJHG-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c18-13-6-3-7-14(19)17(13)20-16(22)11-12-5-4-10-21-9-2-1-8-15(12)21/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,20,22)/t12-,15+/m0/s1.
What are the key properties of 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide?
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 341.28 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 3074823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).