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

C13H8BrCl2NO — CID 763593

IUPAC4-bromo-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H8BrCl2NO/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(15)5-6-11(12)16/h1-7H,(H,17,18)
InChIKeyBQZOKSGAOBHKTO-UHFFFAOYSA-N
MW345.02 g/mol
LogP5.01
Rot. Bonds2

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

4-bromo-N-(2,5-dichlorophenyl)benzamide (PubChem CID 763593) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-dichlorophenyl)benzamide
PubChem CID763593
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC Name4-bromo-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H8BrCl2NO/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(15)5-6-11(12)16/h1-7H,(H,17,18)
InChIKeyBQZOKSGAOBHKTO-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

3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
CID 110823626

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 4-bromo-N-(2,5-dichlorophenyl)benzamide (CID 763593) is 4-bromo-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(2,5-dichlorophenyl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,5-dichlorophenyl)benzamide?
The InChIKey is BQZOKSGAOBHKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(15)5-6-11(12)16/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(2,5-dichlorophenyl)benzamide?
4-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 4-bromo-N-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 763593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).