N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

C16H16ClN3O2 — CID 97157620

About N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 97157620) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
• PubChem CID: 97157620
• Molecular Formula: C16H16ClN3O2
• Molecular Weight: 317.78 g/mol
• Exact Mass: 317.09
• IUPAC Name: N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
• SMILES: CN1C(=O)C[C@@H](NC(=O)c2ccc[nH]2)[C@@H]1c1ccc(Cl)cc1
• InChI: InChI=1S/C16H16ClN3O2/c1-20-14(21)9-13(19-16(22)12-3-2-8-18-12)15(20)10-4-6-11(17)7-5-10/h2-8,13,15,18H,9H2,1H3,(H,19,22)/t13-,15+/m1/s1
• InChIKey: CBLNUXCMZWRYMT-HIFRSBDPSA-N
• XLogP: 2.37
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.78
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (CID 97157620) is N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is CN1C(=O)C[C@@H](NC(=O)c2ccc[nH]2)[C@@H]1c1ccc(Cl)cc1.

What is the InChIKey of N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?

The InChIKey is CBLNUXCMZWRYMT-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-20-14(21)9-13(19-16(22)12-3-2-8-18-12)15(20)10-4-6-11(17)7-5-10/h2-8,13,15,18H,9H2,1H3,(H,19,22)/t13-,15+/m1/s1.

What are the key properties of N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?

N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97157620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).