2-(2,3,5-tribromophenyl)benzamide

C13H8Br3NO — CID 175883829

IUPAC2-(2,3,5-tribromophenyl)benzamide
SMILESNC(=O)c1ccccc1-c1cc(Br)cc(Br)c1Br
InChIInChI=1S/C13H8Br3NO/c14-7-5-10(12(16)11(15)6-7)8-3-1-2-4-9(8)13(17)18/h1-6H,(H2,17,18)
InChIKeyZJCGLSINPVSWGY-UHFFFAOYSA-N
MW433.93 g/mol
LogP4.74
Rot. Bonds2

About 2-(2,3,5-tribromophenyl)benzamide

2-(2,3,5-tribromophenyl)benzamide (PubChem CID 175883829) has the molecular formula C13H8Br3NO and a molecular weight of 433.93 g/mol. Its IUPAC name is 2-(2,3,5-tribromophenyl)benzamide.

Molecular Properties

Compound Name2-(2,3,5-tribromophenyl)benzamide
PubChem CID175883829
Molecular FormulaC13H8Br3NO
Molecular Weight433.93 g/mol
Exact Mass430.82
IUPAC Name2-(2,3,5-tribromophenyl)benzamide
SMILESNC(=O)c1ccccc1-c1cc(Br)cc(Br)c1Br
InChIInChI=1S/C13H8Br3NO/c14-7-5-10(12(16)11(15)6-7)8-3-1-2-4-9(8)13(17)18/h1-6H,(H2,17,18)
InChIKeyZJCGLSINPVSWGY-UHFFFAOYSA-N
XLogP4.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.93
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)benzamide
CID 15982087
2-[(2,4,6-tribromoanilino)methyl]benzamide
CID 28992052
3-(2-aminophenyl)-5-bromo-2-fluorobenzamide
CID 142784567
2-bromobenzamide;hydrochloride
CID 68911907
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
2-(5-amino-2-chloro-3-fluorophenyl)benzamide
CID 145170413
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[(3-amino-5-bromophenoxy)methyl]benzamide
CID 103588227
2-[2-(sulfanyloxymethyl)phenyl]benzamide
CID 145031545
bis(2-(2-carbamoylphenyl)benzamide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;dihydrochloride
CID 173106502
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-tribromophenyl)benzamide?
The IUPAC name of 2-(2,3,5-tribromophenyl)benzamide (CID 175883829) is 2-(2,3,5-tribromophenyl)benzamide.
What is the SMILES notation for 2-(2,3,5-tribromophenyl)benzamide?
The canonical SMILES for 2-(2,3,5-tribromophenyl)benzamide is NC(=O)c1ccccc1-c1cc(Br)cc(Br)c1Br.
What is the InChIKey of 2-(2,3,5-tribromophenyl)benzamide?
The InChIKey is ZJCGLSINPVSWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3NO/c14-7-5-10(12(16)11(15)6-7)8-3-1-2-4-9(8)13(17)18/h1-6H,(H2,17,18).
What are the key properties of 2-(2,3,5-tribromophenyl)benzamide?
2-(2,3,5-tribromophenyl)benzamide has a molecular weight of 433.93 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-tribromophenyl)benzamide is sourced from PubChem (CID 175883829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).