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

C21H18ClN3O4 — CID 16918920

IUPACN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H18ClN3O4/c22-14-5-7-15(8-6-14)24-11-13(9-19(24)27)10-23-18(26)12-25-20(28)16-3-1-2-4-17(16)21(25)29/h1-8,13H,9-12H2,(H,23,26)
InChIKeyDCBASDYVVOOFBG-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.11
Rot. Bonds5

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

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 16918920) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID16918920
Molecular FormulaC21H18ClN3O4
Molecular Weight411.85 g/mol
Exact Mass411.10
IUPAC NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H18ClN3O4/c22-14-5-7-15(8-6-14)24-11-13(9-19(24)27)10-23-18(26)12-25-20(28)16-3-1-2-4-17(16)21(25)29/h1-8,13H,9-12H2,(H,23,26)
InChIKeyDCBASDYVVOOFBG-UHFFFAOYSA-N
XLogP2.11
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.11
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-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918889
(Z)-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-phenylprop-2-enamide
CID 16918871
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179
ethyl N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896854
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 16918920) is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is DCBASDYVVOOFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c22-14-5-7-15(8-6-14)24-11-13(9-19(24)27)10-23-18(26)12-25-20(28)16-3-1-2-4-17(16)21(25)29/h1-8,13H,9-12H2,(H,23,26).
What are the key properties of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 411.85 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 16918920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).