1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

C16H20Cl2N2O2 — CID 113185877

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(CCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-6-19-16(22)12-8-15(21)20(10-12)7-5-11-3-4-13(17)9-14(11)18/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,22)
InChIKeyZDQPTNBLVLXJDG-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.91
Rot. Bonds6

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

1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 113185877) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID113185877
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(CCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-6-19-16(22)12-8-15(21)20(10-12)7-5-11-3-4-13(17)9-14(11)18/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,22)
InChIKeyZDQPTNBLVLXJDG-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182019
1-[2-(2,4-dichlorophenyl)ethyl]-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185893
methyl 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694167
1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185915
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 51937367
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113190926
(3S)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017634
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17082685
1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082586
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185940
1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 113185877) is 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(CCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is ZDQPTNBLVLXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-2-6-19-16(22)12-8-15(21)20(10-12)7-5-11-3-4-13(17)9-14(11)18/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,22).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113185877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).