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

C15H18Cl2N2O2 — CID 17082586

IUPAC1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-2-3-6-19-9-10(7-14(19)20)15(21)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyVIUUVGZYQNNPJC-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.58
Rot. Bonds5

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

1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082586) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17082586
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-2-3-6-19-9-10(7-14(19)20)15(21)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyVIUUVGZYQNNPJC-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082692
1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082588
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182019
N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183254
N-(4-bromo-2-methylphenyl)-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185762
N-(2,4-dichlorophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 75808688
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 17082586) is 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O.
What is the InChIKey of 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VIUUVGZYQNNPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-2-3-6-19-9-10(7-14(19)20)15(21)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,21).
What are the key properties of 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).