2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide

C15H12Br3NO2 — CID 103414555

IUPAC2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)ccc2Br)c(Br)cc1Br
InChIInChI=1S/C15H12Br3NO2/c1-8-3-4-10(16)9(5-8)15(20)19-13-7-14(21-2)12(18)6-11(13)17/h3-7H,1-2H3,(H,19,20)
InChIKeyBRCWAJNLPQAZET-UHFFFAOYSA-N
MW477.98 g/mol
LogP5.54
Rot. Bonds3

About 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide

2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide (PubChem CID 103414555) has the molecular formula C15H12Br3NO2 and a molecular weight of 477.98 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
PubChem CID103414555
Molecular FormulaC15H12Br3NO2
Molecular Weight477.98 g/mol
Exact Mass474.84
IUPAC Name2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)ccc2Br)c(Br)cc1Br
InChIInChI=1S/C15H12Br3NO2/c1-8-3-4-10(16)9(5-8)15(20)19-13-7-14(21-2)12(18)6-11(13)17/h3-7H,1-2H3,(H,19,20)
InChIKeyBRCWAJNLPQAZET-UHFFFAOYSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.98
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103414514
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
4-chloro-N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414724

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide (CID 103414555) is 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide is COc1cc(NC(=O)c2cc(C)ccc2Br)c(Br)cc1Br.
What is the InChIKey of 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide?
The InChIKey is BRCWAJNLPQAZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3NO2/c1-8-3-4-10(16)9(5-8)15(20)19-13-7-14(21-2)12(18)6-11(13)17/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide?
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide has a molecular weight of 477.98 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide is sourced from PubChem (CID 103414555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).