methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate

C23H21ClN2O4 — CID 71739113

About methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate

methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate (PubChem CID 71739113) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate.

Molecular Properties

• Compound Name: methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
• PubChem CID: 71739113
• Molecular Formula: C23H21ClN2O4
• Molecular Weight: 424.88 g/mol
• Exact Mass: 424.12
• IUPAC Name: methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
• SMILES: COC(=O)C1=C2CCCN2C(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1
• InChI: InChI=1S/C23H21ClN2O4/c1-30-23(29)19-17-8-5-13-26(17)22(28)20(18(19)14-9-11-16(24)12-10-14)25-21(27)15-6-3-2-4-7-15/h2-4,6-7,9-12,18,20H,5,8,13H2,1H3,(H,25,27)/t18-,20+/m0/s1
• InChIKey: YNPYARGBOPDFNP-AZUAARDMSA-N
• XLogP: 3.29
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.88
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate?

The IUPAC name of methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate (CID 71739113) is methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate.

What is the SMILES notation for methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate?

The canonical SMILES for methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate is COC(=O)C1=C2CCCN2C(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1.

What is the InChIKey of methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate?

The InChIKey is YNPYARGBOPDFNP-AZUAARDMSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-30-23(29)19-17-8-5-13-26(17)22(28)20(18(19)14-9-11-16(24)12-10-14)25-21(27)15-6-3-2-4-7-15/h2-4,6-7,9-12,18,20H,5,8,13H2,1H3,(H,25,27)/t18-,20+/m0/s1.

What are the key properties of methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate?

methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate has a molecular weight of 424.88 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 71739113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).