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

C14H7Br2ClN2O — CID 107938883

IUPAC3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7Br2ClN2O/c15-10-2-1-8(7-18)13(6-10)19-14(20)9-3-11(16)5-12(17)4-9/h1-6H,(H,19,20)
InChIKeyREXWFKIEDNXMJZ-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.99
Rot. Bonds2

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

3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide (PubChem CID 107938883) has the molecular formula C14H7Br2ClN2O and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
PubChem CID107938883
Molecular FormulaC14H7Br2ClN2O
Molecular Weight414.48 g/mol
Exact Mass411.86
IUPAC Name3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7Br2ClN2O/c15-10-2-1-8(7-18)13(6-10)19-14(20)9-3-11(16)5-12(17)4-9/h1-6H,(H,19,20)
InChIKeyREXWFKIEDNXMJZ-UHFFFAOYSA-N
XLogP4.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
CID 64919189
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 107801433
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103826905
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide (CID 107938883) is 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide is N#Cc1ccc(Br)cc1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide?
The InChIKey is REXWFKIEDNXMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2ClN2O/c15-10-2-1-8(7-18)13(6-10)19-14(20)9-3-11(16)5-12(17)4-9/h1-6H,(H,19,20).
What are the key properties of 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide?
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide has a molecular weight of 414.48 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide is sourced from PubChem (CID 107938883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).