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

C17H16BrNO4 — CID 1363827

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(Br)c1
InChIInChI=1S/C17H16BrNO4/c1-11-2-4-14(13(18)8-11)23-10-17(20)19-12-3-5-15-16(9-12)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeySQQZBICGIZLLQS-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.55
Rot. Bonds4

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

2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 1363827) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID1363827
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(Br)c1
InChIInChI=1S/C17H16BrNO4/c1-11-2-4-14(13(18)8-11)23-10-17(20)19-12-3-5-15-16(9-12)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeySQQZBICGIZLLQS-UHFFFAOYSA-N
XLogP3.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 32511589
2-(2-bromo-4-methylphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9146835
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298895
2-[2-bromo-4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539326

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 1363827) is 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is SQQZBICGIZLLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-11-2-4-14(13(18)8-11)23-10-17(20)19-12-3-5-15-16(9-12)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 378.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 1363827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).