N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide

C21H17N3O5 — CID 142663798

IUPACN-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
SMILESCC1(N2C(=O)c3cccc(NC(=O)c4ccccc4)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C21H17N3O5/c1-21(11-10-15(25)23-20(21)29)24-18(27)13-8-5-9-14(16(13)19(24)28)22-17(26)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,22,26)(H,23,25,29)
InChIKeyUXSRIMHGSHLWGL-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.73
Rot. Bonds3

About N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide

N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide (PubChem CID 142663798) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
PubChem CID142663798
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
SMILESCC1(N2C(=O)c3cccc(NC(=O)c4ccccc4)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C21H17N3O5/c1-21(11-10-15(25)23-20(21)29)24-18(27)13-8-5-9-14(16(13)19(24)28)22-17(26)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,22,26)(H,23,25,29)
InChIKeyUXSRIMHGSHLWGL-UHFFFAOYSA-N
XLogP1.73
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
CID 86607663
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-nitrobenzamide
CID 23904747
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide
CID 142156250
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
CID 19828301

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide?
The IUPAC name of N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide (CID 142663798) is N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide.
What is the SMILES notation for N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide?
The canonical SMILES for N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide is CC1(N2C(=O)c3cccc(NC(=O)c4ccccc4)c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide?
The InChIKey is UXSRIMHGSHLWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-21(11-10-15(25)23-20(21)29)24-18(27)13-8-5-9-14(16(13)19(24)28)22-17(26)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,22,26)(H,23,25,29).
What are the key properties of N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide?
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide has a molecular weight of 391.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide is sourced from PubChem (CID 142663798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).