3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide

C13H7Br3ClNO — CID 107972381

IUPAC3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H7Br3ClNO/c14-8-4-7(5-9(15)6-8)13(19)18-11-3-1-2-10(17)12(11)16/h1-6H,(H,18,19)
InChIKeyKJZMHKGNMCVAOR-UHFFFAOYSA-N
MW468.37 g/mol
LogP5.88
Rot. Bonds2

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

3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide (PubChem CID 107972381) has the molecular formula C13H7Br3ClNO and a molecular weight of 468.37 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
PubChem CID107972381
Molecular FormulaC13H7Br3ClNO
Molecular Weight468.37 g/mol
Exact Mass464.78
IUPAC Name3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H7Br3ClNO/c14-8-4-7(5-9(15)6-8)13(19)18-11-3-1-2-10(17)12(11)16/h1-6H,(H,18,19)
InChIKeyKJZMHKGNMCVAOR-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

3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
N-(2-bromo-3-chlorophenyl)-3-chloro-5-methylbenzamide
CID 103479767
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide (CID 107972381) is 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide is O=C(Nc1cccc(Cl)c1Br)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide?
The InChIKey is KJZMHKGNMCVAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3ClNO/c14-8-4-7(5-9(15)6-8)13(19)18-11-3-1-2-10(17)12(11)16/h1-6H,(H,18,19).
What are the key properties of 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide?
3,5-dibromo-N-(2-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 3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide is sourced from PubChem (CID 107972381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).