N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C20H16ClN3O4 — CID 7564007

IUPACN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H16ClN3O4/c21-12-5-7-14(8-6-12)23-10-13(9-18(23)26)22-17(25)11-24-19(27)15-3-1-2-4-16(15)20(24)28/h1-8,13H,9-11H2,(H,22,25)/t13-/m0/s1
InChIKeyIVVSHSWJMNDZHR-ZDUSSCGKSA-N
MW397.82 g/mol
LogP1.86
Rot. Bonds4

About N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 7564007) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID7564007
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H16ClN3O4/c21-12-5-7-14(8-6-12)23-10-13(9-18(23)26)22-17(25)11-24-19(27)15-3-1-2-4-16(15)20(24)28/h1-8,13H,9-11H2,(H,22,25)/t13-/m0/s1
InChIKeyIVVSHSWJMNDZHR-ZDUSSCGKSA-N
XLogP1.86
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 43971017
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16918920
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-1-ylacetamide
CID 7563968
4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7547526
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
4-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7563765
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255570

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 7564007) is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is IVVSHSWJMNDZHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c21-12-5-7-14(8-6-12)23-10-13(9-18(23)26)22-17(25)11-24-19(27)15-3-1-2-4-16(15)20(24)28/h1-8,13H,9-11H2,(H,22,25)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 397.82 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 7564007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).