2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane

C22H26Cl2N2O3 — CID 144509414

IUPAC2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
SMILESCC.CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20Cl2N2O3.C2H6/c1-13(27-18-9-6-15(21)11-17(18)22)20(26)23-12-14-4-7-16(8-5-14)24-10-2-3-19(24)25;1-2/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26);1-2H3
InChIKeyJRXINRVUBLRBMM-UHFFFAOYSA-N
MW437.37 g/mol
LogP5.23
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane

2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane (PubChem CID 144509414) has the molecular formula C22H26Cl2N2O3 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
PubChem CID144509414
Molecular FormulaC22H26Cl2N2O3
Molecular Weight437.37 g/mol
Exact Mass436.13
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
SMILESCC.CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20Cl2N2O3.C2H6/c1-13(27-18-9-6-15(21)11-17(18)22)20(26)23-12-14-4-7-16(8-5-14)24-10-2-3-19(24)25;1-2/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26);1-2H3
InChIKeyJRXINRVUBLRBMM-UHFFFAOYSA-N
XLogP5.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane with MolForge

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
CID 60521599
2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 43077961
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187
2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 46490501
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 96525589
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopiperidin-1-yl)benzoate
CID 55441673
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9427052
(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
CID 8589059

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane (CID 144509414) is 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane is CC.CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane?
The InChIKey is JRXINRVUBLRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3.C2H6/c1-13(27-18-9-6-15(21)11-17(18)22)20(26)23-12-14-4-7-16(8-5-14)24-10-2-3-19(24)25;1-2/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26);1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane?
2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane has a molecular weight of 437.37 g/mol, XLogP of 5.23, 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-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane is sourced from PubChem (CID 144509414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).