N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide

C22H20ClN3O4 — CID 95781115

IUPACN-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide
SMILESO=C1C[C@@H](Cc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)C(=O)N1
InChIInChI=1S/C22H20ClN3O4/c23-16-3-1-2-4-18(16)26-10-9-17(22(26)30)24-20(28)14-7-5-13(6-8-14)11-15-12-19(27)25-21(15)29/h1-8,15,17H,9-12H2,(H,24,28)(H,25,27,29)/t15-,17+/m1/s1
InChIKeyJMMBAVPOZMLXAQ-WBVHZDCISA-N
MW425.87 g/mol
LogP2.08
Rot. Bonds5

About N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide

N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 95781115) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide
PubChem CID95781115
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC NameN-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide
SMILESO=C1C[C@@H](Cc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)C(=O)N1
InChIInChI=1S/C22H20ClN3O4/c23-16-3-1-2-4-18(16)26-10-9-17(22(26)30)24-20(28)14-7-5-13(6-8-14)11-15-12-19(27)25-21(15)29/h1-8,15,17H,9-12H2,(H,24,28)(H,25,27,29)/t15-,17+/m1/s1
InChIKeyJMMBAVPOZMLXAQ-WBVHZDCISA-N
XLogP2.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95619997
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779533
4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120553759
1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
4-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]amino]-4-phenylbutanoic acid
CID 119201378
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
N-[2-(cycloheptylamino)ethyl]-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119620286
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
CID 56786587
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 95620292

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide (CID 95781115) is N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide is O=C1C[C@@H](Cc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)C(=O)N1.
What is the InChIKey of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is JMMBAVPOZMLXAQ-WBVHZDCISA-N. The full InChI is InChI=1S/C22H20ClN3O4/c23-16-3-1-2-4-18(16)26-10-9-17(22(26)30)24-20(28)14-7-5-13(6-8-14)11-15-12-19(27)25-21(15)29/h1-8,15,17H,9-12H2,(H,24,28)(H,25,27,29)/t15-,17+/m1/s1.
What are the key properties of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide?
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 425.87 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95781115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).