N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide

C19H18N2O4 — CID 9042526

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H18N2O4/c22-18-5-2-8-21(18)15-4-1-3-13(11-15)19(23)20-14-6-7-16-17(12-14)25-10-9-24-16/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,20,23)
InChIKeySSYGPANBYQEIPB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.84
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9042526) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9042526
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H18N2O4/c22-18-5-2-8-21(18)15-4-1-3-13(11-15)19(23)20-14-6-7-16-17(12-14)25-10-9-24-16/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,20,23)
InChIKeySSYGPANBYQEIPB-UHFFFAOYSA-N
XLogP2.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 9449798
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110618989
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
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N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9258695
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 155946788
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
N-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 122132406
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9042526) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SSYGPANBYQEIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18-5-2-8-21(18)15-4-1-3-13(11-15)19(23)20-14-6-7-16-17(12-14)25-10-9-24-16/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 338.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9042526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).