N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C20H14N2O4 — CID 602757

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H14N2O4/c23-18(21-13-7-8-16-17(9-13)26-11-25-16)10-22-15-6-2-4-12-3-1-5-14(19(12)15)20(22)24/h1-9H,10-11H2,(H,21,23)
InChIKeyHCGOQNQKMDKIRS-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.17
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 602757) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID602757
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H14N2O4/c23-18(21-13-7-8-16-17(9-13)26-11-25-16)10-22-15-6-2-4-12-3-1-5-14(19(12)15)20(22)24/h1-9H,10-11H2,(H,21,23)
InChIKeyHCGOQNQKMDKIRS-UHFFFAOYSA-N
XLogP3.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2221614
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 9442147
N-1,3-benzodioxol-5-yl-5-oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-L-prolinamide
CID 16399116
N-(3,4-dimethoxyphenyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 3236167
N-1,3-benzodioxol-5-yl-2-cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 3243353
N-1,3-benzodioxol-5-yl-3-oxo-2-propylisoindoline-4-carboxamide
CID 3244572
N-(1,3-benzodioxol-5-yl)-6-carbamimidoylnaphthalene-2-carboxamide
CID 21707157
1-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}benzo[cd]indol-2(1H)-one
CID 1085585
N-1,3-benzodioxol-5-yl-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide
CID 1188836
N-(1,3-benzodioxol-5-yl)-1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 1251466
methyl 3-{[N-1,3-benzodioxol-5-yl-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate
CID 1265880
N-(1,3-benzodioxol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2998234

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 602757) is N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is HCGOQNQKMDKIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-18(21-13-7-8-16-17(9-13)26-11-25-16)10-22-15-6-2-4-12-3-1-5-14(19(12)15)20(22)24/h1-9H,10-11H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 346.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 602757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).