2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide

C13H7Br3ClNO — CID 114018389

IUPAC2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-7-1-3-9(11(16)5-7)13(19)18-12-6-8(17)2-4-10(12)15/h1-6H,(H,18,19)
InChIKeyWDESCWJNSFHXCG-UHFFFAOYSA-N
MW468.37 g/mol
LogP5.88
Rot. Bonds2

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

2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide (PubChem CID 114018389) has the molecular formula C13H7Br3ClNO and a molecular weight of 468.37 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
PubChem CID114018389
Molecular FormulaC13H7Br3ClNO
Molecular Weight468.37 g/mol
Exact Mass464.78
IUPAC Name2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-7-1-3-9(11(16)5-7)13(19)18-12-6-8(17)2-4-10(12)15/h1-6H,(H,18,19)
InChIKeyWDESCWJNSFHXCG-UHFFFAOYSA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.37
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
5-chloro-N-(2,5-dibromophenyl)-2-hydrazinylbenzamide
CID 62247491
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide (CID 114018389) is 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide is O=C(Nc1cc(Cl)ccc1Br)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide?
The InChIKey is WDESCWJNSFHXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3ClNO/c14-7-1-3-9(11(16)5-7)13(19)18-12-6-8(17)2-4-10(12)15/h1-6H,(H,18,19).
What are the key properties of 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide?
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide has a molecular weight of 468.37 g/mol, XLogP of 5.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide is sourced from PubChem (CID 114018389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).