N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide

C10H8BrFN2O — CID 168522520

IUPACN-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
SMILESCc1c(F)ccc(NC(=O)CC#N)c1Br
InChIInChI=1S/C10H8BrFN2O/c1-6-7(12)2-3-8(10(6)11)14-9(15)4-5-13/h2-3H,4H2,1H3,(H,14,15)
InChIKeyXXGHQQLLVKCPNO-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.75
Rot. Bonds2

About N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide

N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide (PubChem CID 168522520) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
PubChem CID168522520
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC NameN-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
SMILESCc1c(F)ccc(NC(=O)CC#N)c1Br
InChIInChI=1S/C10H8BrFN2O/c1-6-7(12)2-3-8(10(6)11)14-9(15)4-5-13/h2-3H,4H2,1H3,(H,14,15)
InChIKeyXXGHQQLLVKCPNO-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-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 168523936
N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide
CID 168521148
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
CID 168523196

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide?
The IUPAC name of N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide (CID 168522520) is N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide is Cc1c(F)ccc(NC(=O)CC#N)c1Br.
What is the InChIKey of N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide?
The InChIKey is XXGHQQLLVKCPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-6-7(12)2-3-8(10(6)11)14-9(15)4-5-13/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide?
N-(2-bromo-4-fluoro-3-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-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide is sourced from PubChem (CID 168522520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).