N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide

C10H5BrFN3O — CID 168523196

IUPACN-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(F)c(Br)cc1C#N
InChIInChI=1S/C10H5BrFN3O/c11-7-3-6(5-14)9(4-8(7)12)15-10(16)1-2-13/h3-4H,1H2,(H,15,16)
InChIKeyRUKCHLRBRHRSPM-UHFFFAOYSA-N
MW282.07 g/mol
LogP2.31
Rot. Bonds2

About N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide

N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide (PubChem CID 168523196) has the molecular formula C10H5BrFN3O and a molecular weight of 282.07 g/mol. Its IUPAC name is N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
PubChem CID168523196
Molecular FormulaC10H5BrFN3O
Molecular Weight282.07 g/mol
Exact Mass280.96
IUPAC NameN-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(F)c(Br)cc1C#N
InChIInChI=1S/C10H5BrFN3O/c11-7-3-6(5-14)9(4-8(7)12)15-10(16)1-2-13/h3-4H,1H2,(H,15,16)
InChIKeyRUKCHLRBRHRSPM-UHFFFAOYSA-N
XLogP2.31
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
methyl 4-bromo-2-[(2-cyanoacetyl)amino]-5-fluorobenzoate
CID 162719727
N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 168520302
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906
N-[5-bromo-4-(difluoromethoxy)-2-fluorophenyl]-2-cyanoacetamide
CID 168524155
N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
CID 168522520
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide?
The IUPAC name of N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide (CID 168523196) is N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1cc(F)c(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide?
The InChIKey is RUKCHLRBRHRSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFN3O/c11-7-3-6(5-14)9(4-8(7)12)15-10(16)1-2-13/h3-4H,1H2,(H,15,16).
What are the key properties of N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide?
N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide has a molecular weight of 282.07 g/mol, XLogP of 2.31, 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-cyano-5-fluorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 168523196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).