1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C15H19Cl2N3O2 — CID 113190943

IUPAC1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-19(2)6-5-18-15(22)10-7-14(21)20(9-10)13-4-3-11(16)8-12(13)17/h3-4,8,10H,5-7,9H2,1-2H3,(H,18,22)
InChIKeyWFSIFDMXTLMOIW-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.02
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113190943) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113190943
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-19(2)6-5-18-15(22)10-7-14(21)20(9-10)13-4-3-11(16)8-12(13)17/h3-4,8,10H,5-7,9H2,1-2H3,(H,18,22)
InChIKeyWFSIFDMXTLMOIW-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113190926
1-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3469820
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190969
1-[2-(2,4-dichlorophenyl)ethyl]-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185893
(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95127313
(3R)-1-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94039761
1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191072
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185940
1-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189079
1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191025
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
1-(2,5-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113191068

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113190943) is 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WFSIFDMXTLMOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-19(2)6-5-18-15(22)10-7-14(21)20(9-10)13-4-3-11(16)8-12(13)17/h3-4,8,10H,5-7,9H2,1-2H3,(H,18,22).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113190943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).