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

C10H6BrN3O — CID 107790761

IUPACN-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C10H6BrN3O/c11-8-5-7(6-13)1-2-9(8)14-10(15)3-4-12/h1-2,5H,3H2,(H,14,15)
InChIKeySJRVKOSNUGSDCE-UHFFFAOYSA-N
MW264.08 g/mol
LogP2.17
Rot. Bonds2

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

N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide (PubChem CID 107790761) has the molecular formula C10H6BrN3O and a molecular weight of 264.08 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
PubChem CID107790761
Molecular FormulaC10H6BrN3O
Molecular Weight264.08 g/mol
Exact Mass262.97
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C10H6BrN3O/c11-8-5-7(6-13)1-2-9(8)14-10(15)3-4-12/h1-2,5H,3H2,(H,14,15)
InChIKeySJRVKOSNUGSDCE-UHFFFAOYSA-N
XLogP2.17
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide
CID 79200804
N-(2-bromo-4-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 60852002
ethyl 4-(2-bromo-4-cyanoanilino)-4-oxobutanoate
CID 63118915
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide
CID 168520569
2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
CID 64685034
N-(2-bromo-4-cyanophenyl)-2-cyano-2-propylpentanamide
CID 107790774
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(4-bromo-2-sulfanylphenyl)-2-cyanoacetamide
CID 168523579
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide (CID 107790761) is N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1ccc(C#N)cc1Br.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide?
The InChIKey is SJRVKOSNUGSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O/c11-8-5-7(6-13)1-2-9(8)14-10(15)3-4-12/h1-2,5H,3H2,(H,14,15).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide?
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide has a molecular weight of 264.08 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide is sourced from PubChem (CID 107790761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).