2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide

C13H6Br3Cl2NO — CID 107791014

IUPAC2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C13H6Br3Cl2NO/c14-6-1-2-8(15)7(5-6)13(20)19-10-4-3-9(16)11(17)12(10)18/h1-5H,(H,19,20)
InChIKeyJXXPVIXYKRDEKJ-UHFFFAOYSA-N
MW502.82 g/mol
LogP6.53
Rot. Bonds2

About 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide

2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide (PubChem CID 107791014) has the molecular formula C13H6Br3Cl2NO and a molecular weight of 502.82 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
PubChem CID107791014
Molecular FormulaC13H6Br3Cl2NO
Molecular Weight502.82 g/mol
Exact Mass498.74
IUPAC Name2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C13H6Br3Cl2NO/c14-6-1-2-8(15)7(5-6)13(20)19-10-4-3-9(16)11(17)12(10)18/h1-5H,(H,19,20)
InChIKeyJXXPVIXYKRDEKJ-UHFFFAOYSA-N
XLogP6.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.82
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide (CID 107791014) is 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide is O=C(Nc1ccc(Br)c(Cl)c1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide?
The InChIKey is JXXPVIXYKRDEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br3Cl2NO/c14-6-1-2-8(15)7(5-6)13(20)19-10-4-3-9(16)11(17)12(10)18/h1-5H,(H,19,20).
What are the key properties of 2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide?
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide has a molecular weight of 502.82 g/mol, XLogP of 6.53, 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-(4-bromo-2,3-dichlorophenyl)benzamide is sourced from PubChem (CID 107791014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).