2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

C16H19ClN2O3 — CID 3603561

IUPAC2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCC(=O)C(CC(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3/c1-11(20)14(10-15(21)19-8-2-3-9-19)16(22)18-13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,18,22)
InChIKeyLZAUAGKKGHKGTF-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.50
Rot. Bonds5

About 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 3603561) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID3603561
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCC(=O)C(CC(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3/c1-11(20)14(10-15(21)19-8-2-3-9-19)16(22)18-13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,18,22)
InChIKeyLZAUAGKKGHKGTF-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 3603561) is 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is CC(=O)C(CC(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is LZAUAGKKGHKGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11(20)14(10-15(21)19-8-2-3-9-19)16(22)18-13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,18,22).
What are the key properties of 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 322.79 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 3603561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).