2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide

C14H10BrCl2NO2 — CID 104625899

IUPAC2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1Br
InChIInChI=1S/C14H10BrCl2NO2/c1-7-3-2-4-9(12(7)15)14(20)18-11-6-8(16)5-10(17)13(11)19/h2-6,19H,1H3,(H,18,20)
InChIKeyQGOAKMLWNAJPGG-UHFFFAOYSA-N
MW375.05 g/mol
LogP5.02
Rot. Bonds2

About 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide

2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide (PubChem CID 104625899) has the molecular formula C14H10BrCl2NO2 and a molecular weight of 375.05 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
PubChem CID104625899
Molecular FormulaC14H10BrCl2NO2
Molecular Weight375.05 g/mol
Exact Mass372.93
IUPAC Name2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1Br
InChIInChI=1S/C14H10BrCl2NO2/c1-7-3-2-4-9(12(7)15)14(20)18-11-6-8(16)5-10(17)13(11)19/h2-6,19H,1H3,(H,18,20)
InChIKeyQGOAKMLWNAJPGG-UHFFFAOYSA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.05
LogP ≤ 55.02
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

N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
CID 103853019
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
N-(3,5-dichloro-2-hydroxyphenyl)-N'-(2-hydroxy-6-methylphenyl)oxamide
CID 11416940
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide (CID 104625899) is 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1Br.
What is the InChIKey of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide?
The InChIKey is QGOAKMLWNAJPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO2/c1-7-3-2-4-9(12(7)15)14(20)18-11-6-8(16)5-10(17)13(11)19/h2-6,19H,1H3,(H,18,20).
What are the key properties of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide?
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide has a molecular weight of 375.05 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 104625899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).