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

C16H14Br2ClNO3 — CID 5119773

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(Br)c(O)c(Br)c2)cc(C)c1Cl
InChIInChI=1S/C16H14Br2ClNO3/c1-8-3-11(4-9(2)15(8)19)23-7-14(21)20-10-5-12(17)16(22)13(18)6-10/h3-6,22H,7H2,1-2H3,(H,20,21)
InChIKeyWVFSANAPUVNAPM-UHFFFAOYSA-N
MW463.55 g/mol
LogP5.20
Rot. Bonds4

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide (PubChem CID 5119773) has the molecular formula C16H14Br2ClNO3 and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
PubChem CID5119773
Molecular FormulaC16H14Br2ClNO3
Molecular Weight463.55 g/mol
Exact Mass460.90
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(Br)c(O)c(Br)c2)cc(C)c1Cl
InChIInChI=1S/C16H14Br2ClNO3/c1-8-3-11(4-9(2)15(8)19)23-7-14(21)20-10-5-12(17)16(22)13(18)6-10/h3-6,22H,7H2,1-2H3,(H,20,21)
InChIKeyWVFSANAPUVNAPM-UHFFFAOYSA-N
XLogP5.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 55.20
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-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28676419
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91674560
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide (CID 5119773) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide is Cc1cc(OCC(=O)Nc2cc(Br)c(O)c(Br)c2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
The InChIKey is WVFSANAPUVNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClNO3/c1-8-3-11(4-9(2)15(8)19)23-7-14(21)20-10-5-12(17)16(22)13(18)6-10/h3-6,22H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide has a molecular weight of 463.55 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 5119773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).