3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane

C17H20BrNO2 — CID 143239018

IUPAC3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane
SMILESCC.Cc1cc(Br)c(C)c(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H14BrNO2.C2H6/c1-9-7-11(10(2)12(16)8-9)15(19)17-13-5-3-4-6-14(13)18;1-2/h3-8,18H,1-2H3,(H,17,19);1-2H3
InChIKeyHOAOVOGBFIWYPJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP5.05
Rot. Bonds2

About 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane

3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane (PubChem CID 143239018) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane
PubChem CID143239018
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane
SMILESCC.Cc1cc(Br)c(C)c(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H14BrNO2.C2H6/c1-9-7-11(10(2)12(16)8-9)15(19)17-13-5-3-4-6-14(13)18;1-2/h3-8,18H,1-2H3,(H,17,19);1-2H3
InChIKeyHOAOVOGBFIWYPJ-UHFFFAOYSA-N
XLogP5.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide
CID 143239019
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648
2-[2-(hydroxycarbamoyl)phenyl]-N-(2-hydroxyphenyl)benzamide
CID 87749736
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
3-bromo-2,5-dimethylbenzoic acid
CID 59238245
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane?
The IUPAC name of 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane (CID 143239018) is 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane.
What is the SMILES notation for 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane?
The canonical SMILES for 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane is CC.Cc1cc(Br)c(C)c(C(=O)Nc2ccccc2O)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane?
The InChIKey is HOAOVOGBFIWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2.C2H6/c1-9-7-11(10(2)12(16)8-9)15(19)17-13-5-3-4-6-14(13)18;1-2/h3-8,18H,1-2H3,(H,17,19);1-2H3.
What are the key properties of 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane?
3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane has a molecular weight of 350.26 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane is sourced from PubChem (CID 143239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).