1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide

C12H10Cl2N2O — CID 78994957

IUPAC1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C12H10Cl2N2O/c13-8-3-1-4-9(10(8)14)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyRRIGHVGFJYYLGB-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.63
Rot. Bonds2

About 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide

1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide (PubChem CID 78994957) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
PubChem CID78994957
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C12H10Cl2N2O/c13-8-3-1-4-9(10(8)14)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyRRIGHVGFJYYLGB-UHFFFAOYSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
CID 113255375
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
1-carbamothioyl-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 80591786
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 80598733

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide (CID 78994957) is 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide is N#CC1(C(=O)Nc2cccc(Cl)c2Cl)CCC1.
What is the InChIKey of 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide?
The InChIKey is RRIGHVGFJYYLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-8-3-1-4-9(10(8)14)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-(2,3-dichlorophenyl)cyclobutane-1-carboxamide?
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide has a molecular weight of 269.13 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).