1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide

C12H10Br2N2O — CID 107600288

IUPAC1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2c(Br)cccc2Br)CCC1
InChIInChI=1S/C12H10Br2N2O/c13-8-3-1-4-9(14)10(8)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyOYCVWZBCLPIUQJ-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.84
Rot. Bonds2

About 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide

1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide (PubChem CID 107600288) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
PubChem CID107600288
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2c(Br)cccc2Br)CCC1
InChIInChI=1S/C12H10Br2N2O/c13-8-3-1-4-9(14)10(8)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyOYCVWZBCLPIUQJ-UHFFFAOYSA-N
XLogP3.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide
CID 71987346

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide (CID 107600288) is 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide is N#CC1(C(=O)Nc2c(Br)cccc2Br)CCC1.
What is the InChIKey of 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
The InChIKey is OYCVWZBCLPIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-8-3-1-4-9(14)10(8)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-6H2,(H,16,17).
What are the key properties of 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide has a molecular weight of 358.03 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107600288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).