2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide

C15H13Br2NO2 — CID 80974126

IUPAC2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9-3-5-12(17)11(7-9)15(19)18-13-8-10(16)4-6-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyYIIZBSDFSRQRLH-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.78
Rot. Bonds3

About 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide

2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide (PubChem CID 80974126) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
PubChem CID80974126
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9-3-5-12(17)11(7-9)15(19)18-13-8-10(16)4-6-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyYIIZBSDFSRQRLH-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide (CID 80974126) is 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide is COc1ccc(Br)cc1NC(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide?
The InChIKey is YIIZBSDFSRQRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9-3-5-12(17)11(7-9)15(19)18-13-8-10(16)4-6-14(13)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide?
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide has a molecular weight of 399.08 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide is sourced from PubChem (CID 80974126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).