5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide

C18H16BrNO3 — CID 112521584

IUPAC5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C18H16BrNO3/c19-14-2-1-11-7-13(8-12(11)9-14)18(21)20-15-3-4-16-17(10-15)23-6-5-22-16/h1-4,9-10,13H,5-8H2,(H,20,21)
InChIKeyAMMKOAYMUUSLBD-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.57
Rot. Bonds2

About 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112521584) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112521584
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C18H16BrNO3/c19-14-2-1-11-7-13(8-12(11)9-14)18(21)20-15-3-4-16-17(10-15)23-6-5-22-16/h1-4,9-10,13H,5-8H2,(H,20,21)
InChIKeyAMMKOAYMUUSLBD-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-3-carboxamide
CID 52978372
trans-(1S,2S)-1-N,2-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 11881118
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2958672
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141800
4-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide
CID 109150262
cis-(1S,2R)-N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564771

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 112521584) is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is AMMKOAYMUUSLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c19-14-2-1-11-7-13(8-12(11)9-14)18(21)20-15-3-4-16-17(10-15)23-6-5-22-16/h1-4,9-10,13H,5-8H2,(H,20,21).
What are the key properties of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112521584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).