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

C23H24F2N2O5 — CID 68682136

IUPACN-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3F)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24F2N2O5/c1-30-19-6-5-14(9-20(19)32-16-7-8-31-13-16)15-10-22(29)27(11-15)12-21(28)26-18-4-2-3-17(24)23(18)25/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,26,28)/t15-,16-/m1/s1
InChIKeyMJSSVBMRJFGQMM-HZPDHXFCSA-N
MW446.45 g/mol
LogP3.10
Rot. Bonds7

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

N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 68682136) has the molecular formula C23H24F2N2O5 and a molecular weight of 446.45 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID68682136
Molecular FormulaC23H24F2N2O5
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC NameN-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3F)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24F2N2O5/c1-30-19-6-5-14(9-20(19)32-16-7-8-31-13-16)15-10-22(29)27(11-15)12-21(28)26-18-4-2-3-17(24)23(18)25/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,26,28)/t15-,16-/m1/s1
InChIKeyMJSSVBMRJFGQMM-HZPDHXFCSA-N
XLogP3.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (CID 68682136) is N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-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)Nc3cccc(F)c3F)C2)cc1O[C@@H]1CCOC1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is MJSSVBMRJFGQMM-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H24F2N2O5/c1-30-19-6-5-14(9-20(19)32-16-7-8-31-13-16)15-10-22(29)27(11-15)12-21(28)26-18-4-2-3-17(24)23(18)25/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,26,28)/t15-,16-/m1/s1.
What are the key properties of N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 446.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 68682136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).