2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C21H19N3O4 — CID 646485

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C21H19N3O4/c25-18(13-24-20(27)14-7-1-2-8-15(14)21(24)28)22-17-10-4-3-9-16(17)19(26)23-11-5-6-12-23/h1-4,7-10H,5-6,11-13H2,(H,22,25)
InChIKeyYOYCKNVNFBLJIM-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.16
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 646485) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID646485
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C21H19N3O4/c25-18(13-24-20(27)14-7-1-2-8-15(14)21(24)28)22-17-10-4-3-9-16(17)19(26)23-11-5-6-12-23/h1-4,7-10H,5-6,11-13H2,(H,22,25)
InChIKeyYOYCKNVNFBLJIM-UHFFFAOYSA-N
XLogP2.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 646485) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is YOYCKNVNFBLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-18(13-24-20(27)14-7-1-2-8-15(14)21(24)28)22-17-10-4-3-9-16(17)19(26)23-11-5-6-12-23/h1-4,7-10H,5-6,11-13H2,(H,22,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 646485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).