N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide

C10H8BrFN2O — CID 103280880

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CC#N
InChIInChI=1S/C10H8BrFN2O/c1-6-4-8(12)7(11)5-9(6)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKeyXUFLXUJMUJUMOH-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.75
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide (PubChem CID 103280880) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
PubChem CID103280880
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CC#N
InChIInChI=1S/C10H8BrFN2O/c1-6-4-8(12)7(11)5-9(6)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKeyXUFLXUJMUJUMOH-UHFFFAOYSA-N
XLogP2.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
methyl 4-bromo-2-[(2-cyanoacetyl)amino]-5-fluorobenzoate
CID 162719727
N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
CID 168523196
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
CID 168522520
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
CID 107592367
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide (CID 103280880) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide is Cc1cc(F)c(Br)cc1NC(=O)CC#N.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide?
The InChIKey is XUFLXUJMUJUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-6-4-8(12)7(11)5-9(6)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide has a molecular weight of 271.09 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide is sourced from PubChem (CID 103280880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).