N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide

C21H21ClN2O3 — CID 23859290

IUPACN-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H21ClN2O3/c1-2-6-19(25)23(14-15-7-4-3-5-8-15)18-13-20(26)24(21(18)27)17-11-9-16(22)10-12-17/h3-5,7-12,18H,2,6,13-14H2,1H3
InChIKeyFAWAGZDWHUSIMK-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.80
Rot. Bonds6

About N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide

N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide (PubChem CID 23859290) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
PubChem CID23859290
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H21ClN2O3/c1-2-6-19(25)23(14-15-7-4-3-5-8-15)18-13-20(26)24(21(18)27)17-11-9-16(22)10-12-17/h3-5,7-12,18H,2,6,13-14H2,1H3
InChIKeyFAWAGZDWHUSIMK-UHFFFAOYSA-N
XLogP3.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
CID 23998873
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)propanamide
CID 3121026
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23745183
methyl 4-[3-[butanoyl-[(4-fluorophenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23915163
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23915164

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
The IUPAC name of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide (CID 23859290) is N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
The canonical SMILES for N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide is CCCC(=O)N(Cc1ccccc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
The InChIKey is FAWAGZDWHUSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-2-6-19(25)23(14-15-7-4-3-5-8-15)18-13-20(26)24(21(18)27)17-11-9-16(22)10-12-17/h3-5,7-12,18H,2,6,13-14H2,1H3.
What are the key properties of N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide?
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide has a molecular weight of 384.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 23859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).