N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide

C12H10BrClN2O — CID 103479524

IUPACN-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(Cl)c2Br)CCC1
InChIInChI=1S/C12H10BrClN2O/c13-10-8(14)3-1-4-9(10)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyLKNHYUJFAPXUOJ-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.73
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide

N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide (PubChem CID 103479524) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
PubChem CID103479524
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC NameN-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(Cl)c2Br)CCC1
InChIInChI=1S/C12H10BrClN2O/c13-10-8(14)3-1-4-9(10)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyLKNHYUJFAPXUOJ-UHFFFAOYSA-N
XLogP3.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
CID 113255375
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
N-(2-chloro-5-nitrophenyl)-1-cyanocyclobutane-1-carboxamide
CID 78994923
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide (CID 103479524) is N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide is N#CC1(C(=O)Nc2cccc(Cl)c2Br)CCC1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide?
The InChIKey is LKNHYUJFAPXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-10-8(14)3-1-4-9(10)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 N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide?
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide has a molecular weight of 313.58 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 103479524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).