2,5-dibromo-N-(2,5-dimethylphenyl)benzamide

C15H13Br2NO — CID 114370020

IUPAC2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-10(2)14(7-9)18-15(19)12-8-11(16)5-6-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyLDDIOPBQNCDMOP-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.08
Rot. Bonds2

About 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide

2,5-dibromo-N-(2,5-dimethylphenyl)benzamide (PubChem CID 114370020) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
PubChem CID114370020
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-10(2)14(7-9)18-15(19)12-8-11(16)5-6-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyLDDIOPBQNCDMOP-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide (CID 114370020) is 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide is Cc1ccc(C)c(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide?
The InChIKey is LDDIOPBQNCDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-3-4-10(2)14(7-9)18-15(19)12-8-11(16)5-6-13(12)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide?
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 383.08 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 114370020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).