2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide

C15H12Br2ClNO — CID 103819127

IUPAC2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(Cl)ccc2Br)c(Br)c1
InChIInChI=1S/C15H12Br2ClNO/c1-8-5-9(2)14(13(17)6-8)19-15(20)11-7-10(18)3-4-12(11)16/h3-7H,1-2H3,(H,19,20)
InChIKeyDVNZDXRAQXKBLN-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.73
Rot. Bonds2

About 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide

2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide (PubChem CID 103819127) has the molecular formula C15H12Br2ClNO and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
PubChem CID103819127
Molecular FormulaC15H12Br2ClNO
Molecular Weight417.53 g/mol
Exact Mass414.90
IUPAC Name2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(Cl)ccc2Br)c(Br)c1
InChIInChI=1S/C15H12Br2ClNO/c1-8-5-9(2)14(13(17)6-8)19-15(20)11-7-10(18)3-4-12(11)16/h3-7H,1-2H3,(H,19,20)
InChIKeyDVNZDXRAQXKBLN-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
CID 107185608
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834696
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide (CID 103819127) is 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide is Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide?
The InChIKey is DVNZDXRAQXKBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO/c1-8-5-9(2)14(13(17)6-8)19-15(20)11-7-10(18)3-4-12(11)16/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide?
2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide has a molecular weight of 417.53 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide is sourced from PubChem (CID 103819127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).