2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C20H21Br2NO4 — CID 17170194

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C20H21Br2NO4/c1-13-9-14(21)10-16(22)20(13)27-12-19(24)23-17-6-2-3-7-18(17)26-11-15-5-4-8-25-15/h2-3,6-7,9-10,15H,4-5,8,11-12H2,1H3,(H,23,24)
InChIKeyWFSGIZHXQHKAIZ-UHFFFAOYSA-N
MW499.20 g/mol
LogP5.10
Rot. Bonds7

About 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 17170194) has the molecular formula C20H21Br2NO4 and a molecular weight of 499.20 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID17170194
Molecular FormulaC20H21Br2NO4
Molecular Weight499.20 g/mol
Exact Mass496.98
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C20H21Br2NO4/c1-13-9-14(21)10-16(22)20(13)27-12-19(24)23-17-6-2-3-7-18(17)26-11-15-5-4-8-25-15/h2-3,6-7,9-10,15H,4-5,8,11-12H2,1H3,(H,23,24)
InChIKeyWFSGIZHXQHKAIZ-UHFFFAOYSA-N
XLogP5.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.20
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170263
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222513
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 17170194) is 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is WFSGIZHXQHKAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Br2NO4/c1-13-9-14(21)10-16(22)20(13)27-12-19(24)23-17-6-2-3-7-18(17)26-11-15-5-4-8-25-15/h2-3,6-7,9-10,15H,4-5,8,11-12H2,1H3,(H,23,24).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 499.20 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 17170194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).