2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide

C15H12Br2ClNO3 — CID 5119772

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2ClNO3/c1-8-4-9(18)2-3-13(8)22-7-14(20)19-10-5-11(16)15(21)12(17)6-10/h2-6,21H,7H2,1H3,(H,19,20)
InChIKeyLILVPFASUBXJCC-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.90
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide (PubChem CID 5119772) has the molecular formula C15H12Br2ClNO3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
PubChem CID5119772
Molecular FormulaC15H12Br2ClNO3
Molecular Weight449.53 g/mol
Exact Mass446.89
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2ClNO3/c1-8-4-9(18)2-3-13(8)22-7-14(20)19-10-5-11(16)15(21)12(17)6-10/h2-6,21H,7H2,1H3,(H,19,20)
InChIKeyLILVPFASUBXJCC-UHFFFAOYSA-N
XLogP4.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119773
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 5241257
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide (CID 5119772) is 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
The InChIKey is LILVPFASUBXJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO3/c1-8-4-9(18)2-3-13(8)22-7-14(20)19-10-5-11(16)15(21)12(17)6-10/h2-6,21H,7H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 5119772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).