N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide

C16H19ClN2O2 — CID 72724656

IUPACN-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@H]2CCC(=O)N2[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H19ClN2O2/c1-10(20)18-13-8-14-6-7-16(21)19(14)15(9-13)11-2-4-12(17)5-3-11/h2-5,13-15H,6-9H2,1H3,(H,18,20)/t13-,14+,15-/m0/s1
InChIKeyWKHVJBBNEJSGPQ-ZNMIVQPWSA-N
MW306.79 g/mol
LogP2.67
Rot. Bonds2

About N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide

N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide (PubChem CID 72724656) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide
PubChem CID72724656
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@H]2CCC(=O)N2[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H19ClN2O2/c1-10(20)18-13-8-14-6-7-16(21)19(14)15(9-13)11-2-4-12(17)5-3-11/h2-5,13-15H,6-9H2,1H3,(H,18,20)/t13-,14+,15-/m0/s1
InChIKeyWKHVJBBNEJSGPQ-ZNMIVQPWSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide?
The IUPAC name of N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide (CID 72724656) is N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide.
What is the SMILES notation for N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide?
The canonical SMILES for N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide is CC(=O)N[C@H]1C[C@H]2CCC(=O)N2[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide?
The InChIKey is WKHVJBBNEJSGPQ-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10(20)18-13-8-14-6-7-16(21)19(14)15(9-13)11-2-4-12(17)5-3-11/h2-5,13-15H,6-9H2,1H3,(H,18,20)/t13-,14+,15-/m0/s1.
What are the key properties of N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide?
N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide has a molecular weight of 306.79 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide is sourced from PubChem (CID 72724656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).