N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide

C15H8BrN3O — CID 81498291

IUPACN-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1
InChIInChI=1S/C15H8BrN3O/c16-13-5-6-14(12(7-13)9-18)19-15(20)11-3-1-10(8-17)2-4-11/h1-7H,(H,19,20)
InChIKeyAGRYVIFYLTVXJI-UHFFFAOYSA-N
MW326.15 g/mol
LogP3.44
Rot. Bonds2

About N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide

N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide (PubChem CID 81498291) has the molecular formula C15H8BrN3O and a molecular weight of 326.15 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
PubChem CID81498291
Molecular FormulaC15H8BrN3O
Molecular Weight326.15 g/mol
Exact Mass324.99
IUPAC NameN-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1
InChIInChI=1S/C15H8BrN3O/c16-13-5-6-14(12(7-13)9-18)19-15(20)11-3-1-10(8-17)2-4-11/h1-7H,(H,19,20)
InChIKeyAGRYVIFYLTVXJI-UHFFFAOYSA-N
XLogP3.44
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide
CID 107675930
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
(4-bromo-2-cyanophenyl)urea
CID 82708837
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
CID 104578908

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide (CID 81498291) is N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide?
The InChIKey is AGRYVIFYLTVXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3O/c16-13-5-6-14(12(7-13)9-18)19-15(20)11-3-1-10(8-17)2-4-11/h1-7H,(H,19,20).
What are the key properties of N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide?
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide has a molecular weight of 326.15 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide is sourced from PubChem (CID 81498291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).