2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide

C13H7Br3ClNO — CID 114018393

IUPAC2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-7-1-3-9(11(16)5-7)13(19)18-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyKIRGQWOPDIIDDA-UHFFFAOYSA-N
MW468.37 g/mol
LogP5.88
Rot. Bonds2

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

2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide (PubChem CID 114018393) has the molecular formula C13H7Br3ClNO and a molecular weight of 468.37 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
PubChem CID114018393
Molecular FormulaC13H7Br3ClNO
Molecular Weight468.37 g/mol
Exact Mass464.78
IUPAC Name2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-7-1-3-9(11(16)5-7)13(19)18-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyKIRGQWOPDIIDDA-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

2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
CID 107021994
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide (CID 114018393) is 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide is O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide?
The InChIKey is KIRGQWOPDIIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3ClNO/c14-7-1-3-9(11(16)5-7)13(19)18-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19).
What are the key properties of 2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide?
2,4-dibromo-N-(4-bromo-3-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-(4-bromo-3-chlorophenyl)benzamide is sourced from PubChem (CID 114018393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).