N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide

C9H6BrFN2O — CID 104778645

IUPACN-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C9H6BrFN2O/c10-7-5-6(1-2-8(7)11)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyCIYBTKCLEBFKSD-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.44
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide

N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide (PubChem CID 104778645) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
PubChem CID104778645
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C9H6BrFN2O/c10-7-5-6(1-2-8(7)11)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyCIYBTKCLEBFKSD-UHFFFAOYSA-N
XLogP2.44
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide
CID 168523728
N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 115661346
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
methyl 5-[(2-cyanoacetyl)amino]-2-fluorobenzoate
CID 168520431
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-(3-bromo-4-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168600572
N-(3-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 113257060
N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
CID 168523196

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide (CID 104778645) is N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide?
The InChIKey is CIYBTKCLEBFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-7-5-6(1-2-8(7)11)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide?
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide has a molecular weight of 257.06 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 104778645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).