N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide

C10H10BrNO3 — CID 175187814

IUPACN-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(Br)cc(C(C)=O)c1O
InChIInChI=1S/C10H10BrNO3/c1-5(13)8-3-7(11)4-9(10(8)15)12-6(2)14/h3-4,15H,1-2H3,(H,12,14)
InChIKeyXNMCPULFNYYGMP-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.32
Rot. Bonds2

About N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide

N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide (PubChem CID 175187814) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide
PubChem CID175187814
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC NameN-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(Br)cc(C(C)=O)c1O
InChIInChI=1S/C10H10BrNO3/c1-5(13)8-3-7(11)4-9(10(8)15)12-6(2)14/h3-4,15H,1-2H3,(H,12,14)
InChIKeyXNMCPULFNYYGMP-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone
CID 89085878
1-[5-bromo-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573374
N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929
potassium 2-acetamido-4-bromobenzoate
CID 170782729
methyl 5-bromo-3-(cyclopropanecarbonylamino)-2-hydroxybenzoate
CID 168891078
3-acetamido-5-chloro-2-hydroxybenzoic acid
CID 165348968
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
methyl 3-acetamido-5-bromo-2-(2-methylbut-1-enyl)benzoate
CID 130460129
N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
CID 11289508
2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
CID 121267638
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide (CID 175187814) is N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide is CC(=O)Nc1cc(Br)cc(C(C)=O)c1O.
What is the InChIKey of N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide?
The InChIKey is XNMCPULFNYYGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-5(13)8-3-7(11)4-9(10(8)15)12-6(2)14/h3-4,15H,1-2H3,(H,12,14).
What are the key properties of N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide?
N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide has a molecular weight of 272.10 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 175187814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).