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

C17H22Cl2N2O2 — CID 113182019

IUPAC1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C17H22Cl2N2O2/c1-2-3-8-21-11-13(9-16(21)22)17(23)20-7-6-12-4-5-14(18)10-15(12)19/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,23)
InChIKeyUWLICLCMMKETOD-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.30
Rot. Bonds7

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

1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182019) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113182019
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C17H22Cl2N2O2/c1-2-3-8-21-11-13(9-16(21)22)17(23)20-7-6-12-4-5-14(18)10-15(12)19/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,23)
InChIKeyUWLICLCMMKETOD-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113185877
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17082685
1-[2-(2,4-dichlorophenyl)ethyl]-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185893
1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082586
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 51937367
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
(3S)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017634
1-butyl-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182002
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
methyl 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694167
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185940
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017561

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113182019) is 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1=O.
What is the InChIKey of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UWLICLCMMKETOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-2-3-8-21-11-13(9-16(21)22)17(23)20-7-6-12-4-5-14(18)10-15(12)19/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,23).
What are the key properties of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.28 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).