N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide

C9H10BrNO2 — CID 126991929

IUPACN-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)cc(Br)c1O
InChIInChI=1S/C9H10BrNO2/c1-5-3-7(10)9(13)8(4-5)11-6(2)12/h3-4,13H,1-2H3,(H,11,12)
InChIKeySXSKIMXHDUJPIP-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.42
Rot. Bonds1

About N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide

N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide (PubChem CID 126991929) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
PubChem CID126991929
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)cc(Br)c1O
InChIInChI=1S/C9H10BrNO2/c1-5-3-7(10)9(13)8(4-5)11-6(2)12/h3-4,13H,1-2H3,(H,11,12)
InChIKeySXSKIMXHDUJPIP-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide
CID 166195214
9-amino-N-(3-bromo-2-hydroxy-5-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994159
N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide
CID 166391674
N-(3-bromo-2-hydroxy-5-methylphenyl)cyclopropanesulfonamide
CID 146133038
N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide
CID 175187814
N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716
N-(5-fluoro-2,4-dihydroxy-3-methylphenyl)acetamide
CID 89255342
1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
CID 83901747
N-(5-amino-2,4-dibromophenyl)acetamide
CID 14144188
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide (CID 126991929) is N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide is CC(=O)Nc1cc(C)cc(Br)c1O.
What is the InChIKey of N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide?
The InChIKey is SXSKIMXHDUJPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-5-3-7(10)9(13)8(4-5)11-6(2)12/h3-4,13H,1-2H3,(H,11,12).
What are the key properties of N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide?
N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 244.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 126991929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).