N-(3,6-dibromo-2-hydroxyphenyl)benzamide

C13H9Br2NO2 — CID 10690575

IUPACN-(3,6-dibromo-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1c(Br)ccc(Br)c1O)c1ccccc1
InChIInChI=1S/C13H9Br2NO2/c14-9-6-7-10(15)12(17)11(9)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)
InChIKeyKMRCGQUZOWAKEG-UHFFFAOYSA-N
MW371.03 g/mol
LogP4.17
Rot. Bonds2

About N-(3,6-dibromo-2-hydroxyphenyl)benzamide

N-(3,6-dibromo-2-hydroxyphenyl)benzamide (PubChem CID 10690575) has the molecular formula C13H9Br2NO2 and a molecular weight of 371.03 g/mol. Its IUPAC name is N-(3,6-dibromo-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3,6-dibromo-2-hydroxyphenyl)benzamide
PubChem CID10690575
Molecular FormulaC13H9Br2NO2
Molecular Weight371.03 g/mol
Exact Mass368.90
IUPAC NameN-(3,6-dibromo-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1c(Br)ccc(Br)c1O)c1ccccc1
InChIInChI=1S/C13H9Br2NO2/c14-9-6-7-10(15)12(17)11(9)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)
InChIKeyKMRCGQUZOWAKEG-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 54.17
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

N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
N-(2,4-dibromo-6-formylphenyl)benzamide
CID 154033651
N-(2,4-dibromo-6-phenylphenyl)benzamide
CID 86061877
N-(5-amino-2-bromophenyl)benzamide
CID 833748
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
N-acridin-9-ylbenzamide
CID 40532924
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-hydroxybenzamide;nickel
CID 88846751
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dibromo-2-hydroxyphenyl)benzamide?
The IUPAC name of N-(3,6-dibromo-2-hydroxyphenyl)benzamide (CID 10690575) is N-(3,6-dibromo-2-hydroxyphenyl)benzamide.
What is the SMILES notation for N-(3,6-dibromo-2-hydroxyphenyl)benzamide?
The canonical SMILES for N-(3,6-dibromo-2-hydroxyphenyl)benzamide is O=C(Nc1c(Br)ccc(Br)c1O)c1ccccc1.
What is the InChIKey of N-(3,6-dibromo-2-hydroxyphenyl)benzamide?
The InChIKey is KMRCGQUZOWAKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO2/c14-9-6-7-10(15)12(17)11(9)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18).
What are the key properties of N-(3,6-dibromo-2-hydroxyphenyl)benzamide?
N-(3,6-dibromo-2-hydroxyphenyl)benzamide has a molecular weight of 371.03 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dibromo-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 10690575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).