2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

C19H17Cl2FN2O3 — CID 40895841

IUPAC2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17Cl2FN2O3/c20-13-1-6-17(16(21)8-13)27-11-18(25)23-9-12-7-19(26)24(10-12)15-4-2-14(22)3-5-15/h1-6,8,12H,7,9-11H2,(H,23,25)/t12-/m1/s1
InChIKeyNPZWPJCZGGYQFX-GFCCVEGCSA-N
MW411.26 g/mol
LogP3.68
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 40895841) has the molecular formula C19H17Cl2FN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID40895841
Molecular FormulaC19H17Cl2FN2O3
Molecular Weight411.26 g/mol
Exact Mass410.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17Cl2FN2O3/c20-13-1-6-17(16(21)8-13)27-11-18(25)23-9-12-7-19(26)24(10-12)15-4-2-14(22)3-5-15/h1-6,8,12H,7,9-11H2,(H,23,25)/t12-/m1/s1
InChIKeyNPZWPJCZGGYQFX-GFCCVEGCSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
1-[(4-chlorophenyl)methyl]-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913218
2-(2-methoxyphenoxy)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918272
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
5-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-nitrobenzamide
CID 16918708
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 90567515

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 40895841) is 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is NPZWPJCZGGYQFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O3/c20-13-1-6-17(16(21)8-13)27-11-18(25)23-9-12-7-19(26)24(10-12)15-4-2-14(22)3-5-15/h1-6,8,12H,7,9-11H2,(H,23,25)/t12-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 411.26 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 40895841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).