3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide

C13H7Br2Cl2NO — CID 107939178

IUPAC3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7Br2Cl2NO/c14-8-1-2-11(17)12(6-8)18-13(19)7-3-9(15)5-10(16)4-7/h1-6H,(H,18,19)
InChIKeyKJXXEYIFDRKDCC-UHFFFAOYSA-N
MW423.92 g/mol
LogP5.77
Rot. Bonds2

About 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide

3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide (PubChem CID 107939178) has the molecular formula C13H7Br2Cl2NO and a molecular weight of 423.92 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
PubChem CID107939178
Molecular FormulaC13H7Br2Cl2NO
Molecular Weight423.92 g/mol
Exact Mass420.83
IUPAC Name3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7Br2Cl2NO/c14-8-1-2-11(17)12(6-8)18-13(19)7-3-9(15)5-10(16)4-7/h1-6H,(H,18,19)
InChIKeyKJXXEYIFDRKDCC-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792
N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
CID 107028850
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide (CID 107939178) is 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide is O=C(Nc1cc(Br)ccc1Cl)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide?
The InChIKey is KJXXEYIFDRKDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2Cl2NO/c14-8-1-2-11(17)12(6-8)18-13(19)7-3-9(15)5-10(16)4-7/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide?
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide has a molecular weight of 423.92 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide is sourced from PubChem (CID 107939178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).