N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide

C9H6BrFN2O — CID 83317310

IUPACN-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C9H6BrFN2O/c10-7-2-1-6(11)5-8(7)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyYKIVRFFXXDCHDH-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.44
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide

N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide (PubChem CID 83317310) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
PubChem CID83317310
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C9H6BrFN2O/c10-7-2-1-6(11)5-8(7)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyYKIVRFFXXDCHDH-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

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CID 81270486
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2-acetamido-N-(2-bromo-5-fluorophenyl)acetamide
CID 103753391
N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
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(2-bromo-5-fluorophenyl)urea
CID 99639427
N-(2-bromo-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 103753599
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
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2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide (CID 83317310) is N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide?
The InChIKey is YKIVRFFXXDCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-7-2-1-6(11)5-8(7)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide?
N-(2-bromo-5-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-(2-bromo-5-fluorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 83317310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).