N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide

C25H28F2N2O5 — CID 87673410

IUPACN-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)N(CCF)c3cccc(F)c3)C2)cc1OC1CCCO1
InChIInChI=1S/C25H28F2N2O5/c1-32-21-8-7-17(12-22(21)34-25-6-3-11-33-25)18-13-23(30)28(15-18)16-24(31)29(10-9-26)20-5-2-4-19(27)14-20/h2,4-5,7-8,12,14,18,25H,3,6,9-11,13,15-16H2,1H3/t18-,25?/m1/s1
InChIKeyBFKQLIWYAMCFRG-YDONVPIESA-N
MW474.50 g/mol
LogP3.67
Rot. Bonds9

About N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide

N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 87673410) has the molecular formula C25H28F2N2O5 and a molecular weight of 474.50 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID87673410
Molecular FormulaC25H28F2N2O5
Molecular Weight474.50 g/mol
Exact Mass474.20
IUPAC NameN-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)N(CCF)c3cccc(F)c3)C2)cc1OC1CCCO1
InChIInChI=1S/C25H28F2N2O5/c1-32-21-8-7-17(12-22(21)34-25-6-3-11-33-25)18-13-23(30)28(15-18)16-24(31)29(10-9-26)20-5-2-4-19(27)14-20/h2,4-5,7-8,12,14,18,25H,3,6,9-11,13,15-16H2,1H3/t18-,25?/m1/s1
InChIKeyBFKQLIWYAMCFRG-YDONVPIESA-N
XLogP3.67
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide (CID 87673410) is N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)N(CCF)c3cccc(F)c3)C2)cc1OC1CCCO1.
What is the InChIKey of N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is BFKQLIWYAMCFRG-YDONVPIESA-N. The full InChI is InChI=1S/C25H28F2N2O5/c1-32-21-8-7-17(12-22(21)34-25-6-3-11-33-25)18-13-23(30)28(15-18)16-24(31)29(10-9-26)20-5-2-4-19(27)14-20/h2,4-5,7-8,12,14,18,25H,3,6,9-11,13,15-16H2,1H3/t18-,25?/m1/s1.
What are the key properties of N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 474.50 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-(3-fluorophenyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 87673410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).