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

C18H19BrN2O3 — CID 78859648

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2cc3c(cc2Br)OCCO3)c(C)n1
InChIInChI=1S/C18H19BrN2O3/c1-10-6-11(2)20-12(3)18(10)21-17(22)8-13-7-15-16(9-14(13)19)24-5-4-23-15/h6-7,9H,4-5,8H2,1-3H3,(H,21,22)
InChIKeySEJKKOKTMZUJSU-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.72
Rot. Bonds3

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

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (PubChem CID 78859648) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
PubChem CID78859648
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2cc3c(cc2Br)OCCO3)c(C)n1
InChIInChI=1S/C18H19BrN2O3/c1-10-6-11(2)20-12(3)18(10)21-17(22)8-13-7-15-16(9-14(13)19)24-5-4-23-15/h6-7,9H,4-5,8H2,1-3H3,(H,21,22)
InChIKeySEJKKOKTMZUJSU-UHFFFAOYSA-N
XLogP3.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide with MolForge

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Related Compounds

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide
CID 39966173
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-chlorophenyl)acetamide
CID 55386498
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 55386564
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 55406857
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837203
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 55388449
2-(4-butylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859538
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 29169894
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 55386561
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 60685789

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (CID 78859648) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is Cc1cc(C)c(NC(=O)Cc2cc3c(cc2Br)OCCO3)c(C)n1.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The InChIKey is SEJKKOKTMZUJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-10-6-11(2)20-12(3)18(10)21-17(22)8-13-7-15-16(9-14(13)19)24-5-4-23-15/h6-7,9H,4-5,8H2,1-3H3,(H,21,22).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 78859648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).