3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide

C13H6Br4ClNO — CID 107951551

IUPAC3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H6Br4ClNO/c14-7-1-6(2-9(18)3-7)13(20)19-12-10(16)4-8(15)5-11(12)17/h1-5H,(H,19,20)
InChIKeyMJRKJUSKTPUBJK-UHFFFAOYSA-N
MW547.27 g/mol
LogP6.64
Rot. Bonds2

About 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide

3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide (PubChem CID 107951551) has the molecular formula C13H6Br4ClNO and a molecular weight of 547.27 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
PubChem CID107951551
Molecular FormulaC13H6Br4ClNO
Molecular Weight547.27 g/mol
Exact Mass542.69
IUPAC Name3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H6Br4ClNO/c14-7-1-6(2-9(18)3-7)13(20)19-12-10(16)4-8(15)5-11(12)17/h1-5H,(H,19,20)
InChIKeyMJRKJUSKTPUBJK-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-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 113286216
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792
3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
CID 107951653
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
CID 107951917
3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107951874
N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
CID 107937536
3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
3-bromo-5-chloro-N-(6-chloropyrimidin-4-yl)benzamide
CID 114049580

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide (CID 107951551) is 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide is O=C(Nc1c(Br)cc(Br)cc1Br)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide?
The InChIKey is MJRKJUSKTPUBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br4ClNO/c14-7-1-6(2-9(18)3-7)13(20)19-12-10(16)4-8(15)5-11(12)17/h1-5H,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide?
3-bromo-5-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-5-chloro-N-(2,4,6-tribromophenyl)benzamide is sourced from PubChem (CID 107951551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).