3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide

C13H6Br4ClNO — CID 107999237

IUPAC3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H6Br4ClNO/c14-7-4-9(16)12(10(17)5-7)19-13(20)6-1-2-11(18)8(15)3-6/h1-5H,(H,19,20)
InChIKeyRRBQOMQJQYCGIR-UHFFFAOYSA-N
MW547.27 g/mol
LogP6.64
Rot. Bonds2

About 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide

3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide (PubChem CID 107999237) has the molecular formula C13H6Br4ClNO and a molecular weight of 547.27 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
PubChem CID107999237
Molecular FormulaC13H6Br4ClNO
Molecular Weight547.27 g/mol
Exact Mass542.69
IUPAC Name3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H6Br4ClNO/c14-7-4-9(16)12(10(17)5-7)19-13(20)6-1-2-11(18)8(15)3-6/h1-5H,(H,19,20)
InChIKeyRRBQOMQJQYCGIR-UHFFFAOYSA-N
XLogP6.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.27
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
3-bromo-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107999354
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide (CID 107999237) is 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide is O=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide?
The InChIKey is RRBQOMQJQYCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br4ClNO/c14-7-4-9(16)12(10(17)5-7)19-13(20)6-1-2-11(18)8(15)3-6/h1-5H,(H,19,20).
What are the key properties of 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide?
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide has a molecular weight of 547.27 g/mol, XLogP of 6.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide is sourced from PubChem (CID 107999237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).