2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

C20H20Cl2N2O3 — CID 16918546

IUPAC2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCCOc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1
InChIInChI=1S/C20H20Cl2N2O3/c1-2-27-16-6-4-15(5-7-16)24-12-13(9-19(24)25)11-23-20(26)17-8-3-14(21)10-18(17)22/h3-8,10,13H,2,9,11-12H2,1H3,(H,23,26)
InChIKeyNMHSEGQRXINXTE-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.18
Rot. Bonds6

About 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 16918546) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID16918546
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCCOc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1
InChIInChI=1S/C20H20Cl2N2O3/c1-2-27-16-6-4-15(5-7-16)24-12-13(9-19(24)25)11-23-20(26)17-8-3-14(21)10-18(17)22/h3-8,10,13H,2,9,11-12H2,1H3,(H,23,26)
InChIKeyNMHSEGQRXINXTE-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide 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

4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
1-[(4-chlorophenyl)methyl]-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920051
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
2-ethoxy-N-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40876961
ethyl N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896854
2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918426
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 16918577
1-cyclohexyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40912999
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
1-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 16920029
1-benzyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913063
3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16918501

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 16918546) is 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is CCOc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1.
What is the InChIKey of 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is NMHSEGQRXINXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-2-27-16-6-4-15(5-7-16)24-12-13(9-19(24)25)11-23-20(26)17-8-3-14(21)10-18(17)22/h3-8,10,13H,2,9,11-12H2,1H3,(H,23,26).
What are the key properties of 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 407.30 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 16918546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).