N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide

C22H23ClN2O3 — CID 23998873

IUPACN-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
SMILESCCCC(=O)N(CCc1cccc(Cl)c1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H23ClN2O3/c1-2-7-20(26)24(13-12-16-8-6-9-17(23)14-16)19-15-21(27)25(22(19)28)18-10-4-3-5-11-18/h3-6,8-11,14,19H,2,7,12-13,15H2,1H3
InChIKeyPQPQNLLIDCMDGV-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide

N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide (PubChem CID 23998873) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
PubChem CID23998873
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
SMILESCCCC(=O)N(CCc1cccc(Cl)c1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H23ClN2O3/c1-2-7-20(26)24(13-12-16-8-6-9-17(23)14-16)19-15-21(27)25(22(19)28)18-10-4-3-5-11-18/h3-6,8-11,14,19H,2,7,12-13,15H2,1H3
InChIKeyPQPQNLLIDCMDGV-UHFFFAOYSA-N
XLogP3.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.84
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-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23859290
N-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 1364939
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
N-[2-(3-chlorophenyl)ethyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23998853
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)propanamide
CID 3121026
N-[2-(3-chlorophenyl)ethyl]-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23887079
N-[2-(3-chlorophenyl)ethyl]-2-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23803579
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
CID 23802024
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23745452
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-phenylethyl)acetamide
CID 3109144
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-4-methylbenzamide
CID 23803625

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide (CID 23998873) is N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide is CCCC(=O)N(CCc1cccc(Cl)c1)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide?
The InChIKey is PQPQNLLIDCMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-2-7-20(26)24(13-12-16-8-6-9-17(23)14-16)19-15-21(27)25(22(19)28)18-10-4-3-5-11-18/h3-6,8-11,14,19H,2,7,12-13,15H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide?
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide has a molecular weight of 398.89 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 23998873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).