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

C16H13BrClNO3 — CID 55386498

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccccc1Cl
InChIInChI=1S/C16H13BrClNO3/c17-11-9-15-14(21-5-6-22-15)7-10(11)8-16(20)19-13-4-2-1-3-12(13)18/h1-4,7,9H,5-6,8H2,(H,19,20)
InChIKeyMEAWNBDUCKBHOJ-UHFFFAOYSA-N
MW382.64 g/mol
LogP4.05
Rot. Bonds3

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

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide (PubChem CID 55386498) has the molecular formula C16H13BrClNO3 and a molecular weight of 382.64 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide
PubChem CID55386498
Molecular FormulaC16H13BrClNO3
Molecular Weight382.64 g/mol
Exact Mass380.98
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccccc1Cl
InChIInChI=1S/C16H13BrClNO3/c17-11-9-15-14(21-5-6-22-15)7-10(11)8-16(20)19-13-4-2-1-3-12(13)18/h1-4,7,9H,5-6,8H2,(H,19,20)
InChIKeyMEAWNBDUCKBHOJ-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.64
LogP ≤ 54.05
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-chloro-4-methylphenyl)acetamide
CID 55386564
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-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112832788
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 55538487
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 55676703
2-(6-bromo-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)ethanone
CID 86101978
1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 51168557
methyl 3-[[2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-(2-chlorophenyl)propanoate
CID 55440663
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859648
2-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
CID 4010326
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 55388733
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 18121971

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide (CID 55386498) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide is O=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccccc1Cl.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide?
The InChIKey is MEAWNBDUCKBHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO3/c17-11-9-15-14(21-5-6-22-15)7-10(11)8-16(20)19-13-4-2-1-3-12(13)18/h1-4,7,9H,5-6,8H2,(H,19,20).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide has a molecular weight of 382.64 g/mol, XLogP of 4.05, 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-chlorophenyl)acetamide is sourced from PubChem (CID 55386498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).