N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C15H17ClN2O3 — CID 2219810

IUPACN-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C15H17ClN2O3/c1-10-9-11(16)4-5-12(10)17-13(19)3-2-8-18-14(20)6-7-15(18)21/h4-5,9H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyLWJVNKHXOOBGOL-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.52
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 2219810) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID2219810
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C15H17ClN2O3/c1-10-9-11(16)4-5-12(10)17-13(19)3-2-8-18-14(20)6-7-15(18)21/h4-5,9H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyLWJVNKHXOOBGOL-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-
CID 258549
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
Acetamide, N-(4-chloro-2-methylphenyl)-2-(hydroxyimino)-
CID 9580351
N-(4-chloro-2-methylphenyl)-2-methylpropanamide
CID 885868
4-Chloro-2-methylacetanilide
CID 78877
3-(4-Chloro-2-methylphenyl)-1,1-dibutylurea
CID 4347087
N-(3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2872768
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986000
N-(4-chloro-2-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081267
2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 3603561
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 2219810) is N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is Cc1cc(Cl)ccc1NC(=O)CCCN1C(=O)CCC1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is LWJVNKHXOOBGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-10-9-11(16)4-5-12(10)17-13(19)3-2-8-18-14(20)6-7-15(18)21/h4-5,9H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 308.76 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 2219810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).