2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide

C18H19Br2NO3 — CID 17150905

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C18H19Br2NO3/c1-11(2)24-16-7-5-4-6-15(16)21-17(22)10-23-18-12(3)8-13(19)9-14(18)20/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyHCQMBEPHTNDCOM-UHFFFAOYSA-N
MW457.16 g/mol
LogP5.32
Rot. Bonds6

About 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 17150905) has the molecular formula C18H19Br2NO3 and a molecular weight of 457.16 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID17150905
Molecular FormulaC18H19Br2NO3
Molecular Weight457.16 g/mol
Exact Mass454.97
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C18H19Br2NO3/c1-11(2)24-16-7-5-4-6-15(16)21-17(22)10-23-18-12(3)8-13(19)9-14(18)20/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyHCQMBEPHTNDCOM-UHFFFAOYSA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.16
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170194
2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 2109479
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
2-(2-bromo-4-tert-butylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150986
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131419
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide (CID 17150905) is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is HCQMBEPHTNDCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2NO3/c1-11(2)24-16-7-5-4-6-15(16)21-17(22)10-23-18-12(3)8-13(19)9-14(18)20/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 457.16 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 17150905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).