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

C15H14BrNO2 — CID 143239019

IUPAC3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide
SMILESCc1cc(Br)c(C)c(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H14BrNO2/c1-9-7-11(10(2)12(16)8-9)15(19)17-13-5-3-4-6-14(13)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeySSINWVJDNLDINY-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.02
Rot. Bonds2

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

3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide (PubChem CID 143239019) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide
PubChem CID143239019
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide
SMILESCc1cc(Br)c(C)c(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H14BrNO2/c1-9-7-11(10(2)12(16)8-9)15(19)17-13-5-3-4-6-14(13)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeySSINWVJDNLDINY-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.02
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

3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide;ethane
CID 143239018
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?
The IUPAC name of 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide (CID 143239019) is 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide is Cc1cc(Br)c(C)c(C(=O)Nc2ccccc2O)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide?
The InChIKey is SSINWVJDNLDINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-9-7-11(10(2)12(16)8-9)15(19)17-13-5-3-4-6-14(13)18/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of 3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide?
3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 4.02, 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 is sourced from PubChem (CID 143239019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).