2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide

C19H20BrCl2NO3 — CID 17095423

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C19H20BrCl2NO3/c1-12(2)7-8-25-15-5-3-14(4-6-15)23-18(24)11-26-19-16(20)9-13(21)10-17(19)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyMJUXJIRMCPHFHG-UHFFFAOYSA-N
MW461.18 g/mol
LogP6.20
Rot. Bonds8

About 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide

2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 17095423) has the molecular formula C19H20BrCl2NO3 and a molecular weight of 461.18 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID17095423
Molecular FormulaC19H20BrCl2NO3
Molecular Weight461.18 g/mol
Exact Mass459.00
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C19H20BrCl2NO3/c1-12(2)7-8-25-15-5-3-14(4-6-15)23-18(24)11-26-19-16(20)9-13(21)10-17(19)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyMJUXJIRMCPHFHG-UHFFFAOYSA-N
XLogP6.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.18
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17096580
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17095349
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17095347
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17096590
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 17095423) is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide is CC(C)CCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is MJUXJIRMCPHFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2NO3/c1-12(2)7-8-25-15-5-3-14(4-6-15)23-18(24)11-26-19-16(20)9-13(21)10-17(19)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 461.18 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 17095423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).