N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide

C18H15NO4 — CID 132582403

IUPACN-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)c2cc3c(cc2C1)OCO3)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-15-8-13(19-18(21)11-4-2-1-3-5-11)6-12-7-16-17(9-14(12)15)23-10-22-16/h1-5,7,9,13H,6,8,10H2,(H,19,21)/t13-/m1/s1
InChIKeyMOOCRVRCHAESII-CYBMUJFWSA-N
MW309.32 g/mol
LogP2.34
Rot. Bonds2

About N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide

N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide (PubChem CID 132582403) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide.

Molecular Properties

Compound NameN-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide
PubChem CID132582403
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)c2cc3c(cc2C1)OCO3)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-15-8-13(19-18(21)11-4-2-1-3-5-11)6-12-7-16-17(9-14(12)15)23-10-22-16/h1-5,7,9,13H,6,8,10H2,(H,19,21)/t13-/m1/s1
InChIKeyMOOCRVRCHAESII-CYBMUJFWSA-N
XLogP2.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide
CID 3343673
(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one
CID 134967336
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(1-methyl-2,6-dioxopiperidin-4-yl)benzamide
CID 523504
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 60703620
2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride
CID 110094606
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564030
N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
CID 107854750

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide?
The IUPAC name of N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide (CID 132582403) is N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide.
What is the SMILES notation for N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide?
The canonical SMILES for N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide is O=C(N[C@H]1CC(=O)c2cc3c(cc2C1)OCO3)c1ccccc1.
What is the InChIKey of N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide?
The InChIKey is MOOCRVRCHAESII-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15NO4/c20-15-8-13(19-18(21)11-4-2-1-3-5-11)6-12-7-16-17(9-14(12)15)23-10-22-16/h1-5,7,9,13H,6,8,10H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide?
N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide has a molecular weight of 309.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide is sourced from PubChem (CID 132582403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).