N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide

C24H27FN2O5 — CID 11476245

About N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 11476245) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
• PubChem CID: 11476245
• Molecular Formula: C24H27FN2O5
• Molecular Weight: 442.49 g/mol
• Exact Mass: 442.19
• IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
• SMILES: COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(C)c(F)c3)C2)cc1O[C@@H]1CCOC1
• InChI: InChI=1S/C24H27FN2O5/c1-15-3-5-18(11-20(15)25)26-23(28)13-27-12-17(10-24(27)29)16-4-6-21(30-2)22(9-16)32-19-7-8-31-14-19/h3-6,9,11,17,19H,7-8,10,12-14H2,1-2H3,(H,26,28)/t17-,19-/m1/s1
• InChIKey: WOVNRPVUZRWQHX-IEBWSBKVSA-N
• XLogP: 3.27
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?

The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (CID 11476245) is N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?

The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(C)c(F)c3)C2)cc1O[C@@H]1CCOC1.

What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?

The InChIKey is WOVNRPVUZRWQHX-IEBWSBKVSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-15-3-5-18(11-20(15)25)26-23(28)13-27-12-17(10-24(27)29)16-4-6-21(30-2)22(9-16)32-19-7-8-31-14-19/h3-6,9,11,17,19H,7-8,10,12-14H2,1-2H3,(H,26,28)/t17-,19-/m1/s1.

What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?

N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 442.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 11476245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).