2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide

C14H7Br3N2O — CID 114371240

IUPAC2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2Br)c(Br)c1
InChIInChI=1S/C14H7Br3N2O/c15-9-2-3-11(16)10(6-9)14(20)19-13-4-1-8(7-18)5-12(13)17/h1-6H,(H,19,20)
InChIKeyVNIGSILYZIAOIO-UHFFFAOYSA-N
MW458.94 g/mol
LogP5.10
Rot. Bonds2

About 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide

2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide (PubChem CID 114371240) has the molecular formula C14H7Br3N2O and a molecular weight of 458.94 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
PubChem CID114371240
Molecular FormulaC14H7Br3N2O
Molecular Weight458.94 g/mol
Exact Mass455.81
IUPAC Name2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)ccc2Br)c(Br)c1
InChIInChI=1S/C14H7Br3N2O/c15-9-2-3-11(16)10(6-9)14(20)19-13-4-1-8(7-18)5-12(13)17/h1-6H,(H,19,20)
InChIKeyVNIGSILYZIAOIO-UHFFFAOYSA-N
XLogP5.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.94
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide 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

5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
CID 113231347
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
5-bromo-N-(4-cyano-2-iodophenyl)-2-hydroxybenzamide
CID 51057545
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide (CID 114371240) is 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2cc(Br)ccc2Br)c(Br)c1.
What is the InChIKey of 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide?
The InChIKey is VNIGSILYZIAOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br3N2O/c15-9-2-3-11(16)10(6-9)14(20)19-13-4-1-8(7-18)5-12(13)17/h1-6H,(H,19,20).
What are the key properties of 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide?
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide has a molecular weight of 458.94 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide is sourced from PubChem (CID 114371240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).