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

C18H18BrNO3 — CID 39966173

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1C
InChIInChI=1S/C18H18BrNO3/c1-11-4-3-5-15(12(11)2)20-18(21)9-13-8-16-17(10-14(13)19)23-7-6-22-16/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,21)
InChIKeyWCGNJXVFRWXKAT-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.02
Rot. Bonds3

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

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 39966173) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID39966173
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1C
InChIInChI=1S/C18H18BrNO3/c1-11-4-3-5-15(12(11)2)20-18(21)9-13-8-16-17(10-14(13)19)23-7-6-22-16/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,21)
InChIKeyWCGNJXVFRWXKAT-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide
CID 55386498
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 55386564
6-bromo-N-(2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 146464701
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55672468
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859648
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 55538487
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 113198710
2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 8965313
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 55676703
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42894360

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide (CID 39966173) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1C.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is WCGNJXVFRWXKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-11-4-3-5-15(12(11)2)20-18(21)9-13-8-16-17(10-14(13)19)23-7-6-22-16/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 376.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 39966173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).