N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide

C19H21Br2NO3 — CID 17095038

IUPACN-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCCCCOc1cccc(NC(=O)COc2c(C)cc(Br)cc2Br)c1
InChIInChI=1S/C19H21Br2NO3/c1-3-4-8-24-16-7-5-6-15(11-16)22-18(23)12-25-19-13(2)9-14(20)10-17(19)21/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,22,23)
InChIKeyQFZSKEZBULBZLK-UHFFFAOYSA-N
MW471.19 g/mol
LogP5.72
Rot. Bonds8

About N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide

N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 17095038) has the molecular formula C19H21Br2NO3 and a molecular weight of 471.19 g/mol. Its IUPAC name is N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID17095038
Molecular FormulaC19H21Br2NO3
Molecular Weight471.19 g/mol
Exact Mass468.99
IUPAC NameN-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCCCCOc1cccc(NC(=O)COc2c(C)cc(Br)cc2Br)c1
InChIInChI=1S/C19H21Br2NO3/c1-3-4-8-24-16-7-5-6-15(11-16)22-18(23)12-25-19-13(2)9-14(20)10-17(19)21/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,22,23)
InChIKeyQFZSKEZBULBZLK-UHFFFAOYSA-N
XLogP5.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.19
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123513
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204542
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097631

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 17095038) is N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is CCCCOc1cccc(NC(=O)COc2c(C)cc(Br)cc2Br)c1.
What is the InChIKey of N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is QFZSKEZBULBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2NO3/c1-3-4-8-24-16-7-5-6-15(11-16)22-18(23)12-25-19-13(2)9-14(20)10-17(19)21/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,22,23).
What are the key properties of N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 471.19 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 17095038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).