3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide

C14H12BrNO3 — CID 82800403

IUPAC3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide
SMILESCc1c(O)cccc1Oc1ccc(C(N)=O)cc1Br
InChIInChI=1S/C14H12BrNO3/c1-8-11(17)3-2-4-12(8)19-13-6-5-9(14(16)18)7-10(13)15/h2-7,17H,1H3,(H2,16,18)
InChIKeyWFOYKJSCCMSABU-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.35
Rot. Bonds3

About 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide

3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide (PubChem CID 82800403) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide.

Molecular Properties

Compound Name3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide
PubChem CID82800403
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide
SMILESCc1c(O)cccc1Oc1ccc(C(N)=O)cc1Br
InChIInChI=1S/C14H12BrNO3/c1-8-11(17)3-2-4-12(8)19-13-6-5-9(14(16)18)7-10(13)15/h2-7,17H,1H3,(H2,16,18)
InChIKeyWFOYKJSCCMSABU-UHFFFAOYSA-N
XLogP3.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
3-bromo-4-(2-fluoro-3-methylphenoxy)benzoic acid
CID 107661525
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
CID 82804888
3-bromo-4-(2-bromo-4-methylphenoxy)benzenecarbothioamide
CID 82804196
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
3-bromo-4-(3-methylphenoxy)benzoic acid
CID 82801842
3-[(2-bromo-4-methylphenoxy)methyl]benzamide
CID 28602474
3-bromo-4-(2-ethoxyphenoxy)benzoic acid
CID 82800711
3-bromo-4-(4-fluoro-2-methylphenoxy)benzenecarbothioamide
CID 82804683
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284752

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide?
The IUPAC name of 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide (CID 82800403) is 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide.
What is the SMILES notation for 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide?
The canonical SMILES for 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide is Cc1c(O)cccc1Oc1ccc(C(N)=O)cc1Br.
What is the InChIKey of 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide?
The InChIKey is WFOYKJSCCMSABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-8-11(17)3-2-4-12(8)19-13-6-5-9(14(16)18)7-10(13)15/h2-7,17H,1H3,(H2,16,18).
What are the key properties of 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide?
3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide has a molecular weight of 322.16 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide is sourced from PubChem (CID 82800403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).