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

C13H8BrCl2NO — CID 765435

IUPAC3-bromo-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C13H8BrCl2NO/c14-9-3-1-2-8(6-9)13(18)17-12-7-10(15)4-5-11(12)16/h1-7H,(H,17,18)
InChIKeyAXJARYDTXXNWND-UHFFFAOYSA-N
MW345.02 g/mol
LogP5.01
Rot. Bonds2

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

3-bromo-N-(2,5-dichlorophenyl)benzamide (PubChem CID 765435) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,5-dichlorophenyl)benzamide
PubChem CID765435
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC Name3-bromo-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C13H8BrCl2NO/c14-9-3-1-2-8(6-9)13(18)17-12-7-10(15)4-5-11(12)16/h1-7H,(H,17,18)
InChIKeyAXJARYDTXXNWND-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.02
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
CID 1034731
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
CID 107028850
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 3-bromo-N-(2,5-dichlorophenyl)benzamide (CID 765435) is 3-bromo-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2,5-dichlorophenyl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,5-dichlorophenyl)benzamide?
The InChIKey is AXJARYDTXXNWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-9-3-1-2-8(6-9)13(18)17-12-7-10(15)4-5-11(12)16/h1-7H,(H,17,18).
What are the key properties of 3-bromo-N-(2,5-dichlorophenyl)benzamide?
3-bromo-N-(2,5-dichlorophenyl)benzamide has a molecular weight of 345.02 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 765435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).