N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C19H16N2O5 — CID 27648532

IUPACN-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16N2O5/c22-17-7-8-18(23)21(17)10-12-1-3-13(4-2-12)19(24)20-14-5-6-15-16(9-14)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,20,24)
InChIKeyZKHDCHYVRVEFND-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.32
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 27648532) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID27648532
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16N2O5/c22-17-7-8-18(23)21(17)10-12-1-3-13(4-2-12)19(24)20-14-5-6-15-16(9-14)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,20,24)
InChIKeyZKHDCHYVRVEFND-UHFFFAOYSA-N
XLogP2.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
CID 35322937
N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 1142825
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 27704240
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905402
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 32960371
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
N-[4-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 166205185

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 27648532) is N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is ZKHDCHYVRVEFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-17-7-8-18(23)21(17)10-12-1-3-13(4-2-12)19(24)20-14-5-6-15-16(9-14)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 352.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 27648532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).