N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide

C22H18BrNO3 — CID 2567069

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18BrNO3/c23-17-13-19-20(27-12-11-26-19)14-18(17)24-22(25)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,21H,11-12H2,(H,24,25)
InChIKeyNPYBKZZNOLDVGD-UHFFFAOYSA-N
MW424.29 g/mol
LogP4.99
Rot. Bonds4

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide (PubChem CID 2567069) has the molecular formula C22H18BrNO3 and a molecular weight of 424.29 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
PubChem CID2567069
Molecular FormulaC22H18BrNO3
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18BrNO3/c23-17-13-19-20(27-12-11-26-19)14-18(17)24-22(25)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,21H,11-12H2,(H,24,25)
InChIKeyNPYBKZZNOLDVGD-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 107903641
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide
CID 43702346
(3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40974865
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanamide
CID 43702364
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
CID 104902736
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-cyclopropylurea
CID 47198970
(2S)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpentanamide
CID 61172298
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide
CID 26903005
N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43011577
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide (CID 2567069) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide is O=C(Nc1cc2c(cc1Br)OCCO2)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide?
The InChIKey is NPYBKZZNOLDVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO3/c23-17-13-19-20(27-12-11-26-19)14-18(17)24-22(25)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,21H,11-12H2,(H,24,25).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide has a molecular weight of 424.29 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 2567069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).