N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide

C17H18Br2N2O4 — CID 121410401

IUPACN-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
SMILESCC(=O)Nc1cc(Br)ccc1O.COc1ccc(Br)cc1NC(C)=O
InChIInChI=1S/C9H10BrNO2.C8H8BrNO2/c1-6(12)11-8-5-7(10)3-4-9(8)13-2;1-5(11)10-7-4-6(9)2-3-8(7)12/h3-5H,1-2H3,(H,11,12);2-4,12H,1H3,(H,10,11)
InChIKeyQOMRFKRLSQCCBX-UHFFFAOYSA-N
MW474.15 g/mol
LogP4.53
Rot. Bonds3

About N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide

N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide (PubChem CID 121410401) has the molecular formula C17H18Br2N2O4 and a molecular weight of 474.15 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
PubChem CID121410401
Molecular FormulaC17H18Br2N2O4
Molecular Weight474.15 g/mol
Exact Mass471.96
IUPAC NameN-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
SMILESCC(=O)Nc1cc(Br)ccc1O.COc1ccc(Br)cc1NC(C)=O
InChIInChI=1S/C9H10BrNO2.C8H8BrNO2/c1-6(12)11-8-5-7(10)3-4-9(8)13-2;1-5(11)10-7-4-6(9)2-3-8(7)12/h3-5H,1-2H3,(H,11,12);2-4,12H,1H3,(H,10,11)
InChIKeyQOMRFKRLSQCCBX-UHFFFAOYSA-N
XLogP4.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.15
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
CID 121267638
N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298790
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
CID 143251250
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
3-(5-bromo-2-methoxyphenyl)-1,1-diethylurea
CID 60562444
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide (CID 121410401) is N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide is CC(=O)Nc1cc(Br)ccc1O.COc1ccc(Br)cc1NC(C)=O.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide?
The InChIKey is QOMRFKRLSQCCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2.C8H8BrNO2/c1-6(12)11-8-5-7(10)3-4-9(8)13-2;1-5(11)10-7-4-6(9)2-3-8(7)12/h3-5H,1-2H3,(H,11,12);2-4,12H,1H3,(H,10,11).
What are the key properties of N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide?
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide has a molecular weight of 474.15 g/mol, XLogP of 4.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide is sourced from PubChem (CID 121410401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).