(2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

C17H15ClFN3O2 — CID 95326972

About (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

(2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 95326972) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
• PubChem CID: 95326972
• Molecular Formula: C17H15ClFN3O2
• Molecular Weight: 347.78 g/mol
• Exact Mass: 347.08
• IUPAC Name: (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
• SMILES: CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2F)[C@H]1c1cccnc1
• InChI: InChI=1S/C17H15ClFN3O2/c1-22-15(23)8-12(16(22)10-3-2-6-20-9-10)17(24)21-14-5-4-11(18)7-13(14)19/h2-7,9,12,16H,8H2,1H3,(H,21,24)/t12-,16+/m0/s1
• InChIKey: DKEIYJFHQUTQKV-BLLLJJGKSA-N
• XLogP: 3.03
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.78
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?

The IUPAC name of (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 95326972) is (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

What is the SMILES notation for (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?

The canonical SMILES for (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2F)[C@H]1c1cccnc1.

What is the InChIKey of (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?

The InChIKey is DKEIYJFHQUTQKV-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-22-15(23)8-12(16(22)10-3-2-6-20-9-10)17(24)21-14-5-4-11(18)7-13(14)19/h2-7,9,12,16H,8H2,1H3,(H,21,24)/t12-,16+/m0/s1.

What are the key properties of (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?

(2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95326972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).