2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide

C14H14Br2N2O3 — CID 121267638

IUPAC2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(Br)ccc1O.Nc1cc(Br)ccc1O
InChIInChI=1S/C8H8BrNO2.C6H6BrNO/c1-5(11)10-7-4-6(9)2-3-8(7)12;7-4-1-2-6(9)5(8)3-4/h2-4,12H,1H3,(H,10,11);1-3,9H,8H2
InChIKeyCPPVDBUUDMUWNN-UHFFFAOYSA-N
MW418.09 g/mol
LogP3.85
Rot. Bonds1

About 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide

2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide (PubChem CID 121267638) has the molecular formula C14H14Br2N2O3 and a molecular weight of 418.09 g/mol. Its IUPAC name is 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
PubChem CID121267638
Molecular FormulaC14H14Br2N2O3
Molecular Weight418.09 g/mol
Exact Mass415.94
IUPAC Name2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(Br)ccc1O.Nc1cc(Br)ccc1O
InChIInChI=1S/C8H8BrNO2.C6H6BrNO/c1-5(11)10-7-4-6(9)2-3-8(7)12;7-4-1-2-6(9)5(8)3-4/h2-4,12H,1H3,(H,10,11);1-3,9H,8H2
InChIKeyCPPVDBUUDMUWNN-UHFFFAOYSA-N
XLogP3.85
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.09
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
2-amino-4-bromophenol;hydrochloride
CID 46738123
2-amino-4-bromophenol;bis(4-bromophenol)
CID 67677051
2-(5-bromo-2-hydroxyanilino)ethene-1,1,2-tricarbonitrile
CID 168606210
4-(5-bromo-2-hydroxyanilino)-4-oxobutanoic acid
CID 23822639
5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
CID 82688311
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
4-bromophenol;N-(2-hydroxyphenyl)acetamide
CID 175122442
4-amino-N-(5-bromo-2-hydroxyphenyl)-3-hydroxybutanamide
CID 167793824
potassium 2-acetamido-4-bromobenzoate
CID 170782729
1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide
CID 169189607
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide (CID 121267638) is 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide is CC(=O)Nc1cc(Br)ccc1O.Nc1cc(Br)ccc1O.
What is the InChIKey of 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide?
The InChIKey is CPPVDBUUDMUWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2.C6H6BrNO/c1-5(11)10-7-4-6(9)2-3-8(7)12;7-4-1-2-6(9)5(8)3-4/h2-4,12H,1H3,(H,10,11);1-3,9H,8H2.
What are the key properties of 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide?
2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide has a molecular weight of 418.09 g/mol, XLogP of 3.85, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 121267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).