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

C15H18Cl2N2O2 — CID 17082588

IUPAC1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2cccc(Cl)c2Cl)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-2-3-7-19-9-10(8-13(19)20)15(21)18-12-6-4-5-11(16)14(12)17/h4-6,10H,2-3,7-9H2,1H3,(H,18,21)
InChIKeyWUQWGWLECBRYHS-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.58
Rot. Bonds5

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

1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082588) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17082588
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2cccc(Cl)c2Cl)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-2-3-7-19-9-10(8-13(19)20)15(21)18-12-6-4-5-11(16)14(12)17/h4-6,10H,2-3,7-9H2,1H3,(H,18,21)
InChIKeyWUQWGWLECBRYHS-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

1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082586
N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082692
ethyl 2-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 17082543
(3S)-1-butyl-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9398612
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
N-(2,3-dichlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 4202412

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 17082588) is 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2cccc(Cl)c2Cl)CC1=O.
What is the InChIKey of 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WUQWGWLECBRYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-2-3-7-19-9-10(8-13(19)20)15(21)18-12-6-4-5-11(16)14(12)17/h4-6,10H,2-3,7-9H2,1H3,(H,18,21).
What are the key properties of 1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-(2,3-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-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).