2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide

C10H8Br2N2O — CID 168520217

IUPAC2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1NC(=O)CC#N
InChIInChI=1S/C10H8Br2N2O/c1-6-4-7(11)5-8(12)10(6)14-9(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKeyAYVKWKUBZGCZMY-UHFFFAOYSA-N
MW332.00 g/mol
LogP3.37
Rot. Bonds2

About 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide

2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide (PubChem CID 168520217) has the molecular formula C10H8Br2N2O and a molecular weight of 332.00 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide
PubChem CID168520217
Molecular FormulaC10H8Br2N2O
Molecular Weight332.00 g/mol
Exact Mass329.90
IUPAC Name2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1NC(=O)CC#N
InChIInChI=1S/C10H8Br2N2O/c1-6-4-7(11)5-8(12)10(6)14-9(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKeyAYVKWKUBZGCZMY-UHFFFAOYSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
CID 168521570
N-[4-(4-bromophenoxy)-2-methylphenyl]-2-cyanoacetamide
CID 168521022
N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide
CID 168523926
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N-(2-bromo-4-methyl-5-nitrophenyl)-2-cyanoacetamide
CID 113456286
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
CID 168521788
1-(2,4-dibromo-6-methylphenyl)-3-phenylurea
CID 4558595
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide (CID 168520217) is 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide is Cc1cc(Br)cc(Br)c1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide?
The InChIKey is AYVKWKUBZGCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O/c1-6-4-7(11)5-8(12)10(6)14-9(15)2-3-13/h4-5H,2H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide?
2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide has a molecular weight of 332.00 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide is sourced from PubChem (CID 168520217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).