2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide

C13H20Cl2N2O — CID 56805983

IUPAC2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide
SMILESCC(C)(C)CN(CCC#N)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H20Cl2N2O/c1-11(2,3)9-17(7-5-6-16)10(18)12(4)8-13(12,14)15/h5,7-9H2,1-4H3
InChIKeyCLRXFMGPSBROBJ-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.36
Rot. Bonds4

About 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 56805983) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide
PubChem CID56805983
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide
SMILESCC(C)(C)CN(CCC#N)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H20Cl2N2O/c1-11(2,3)9-17(7-5-6-16)10(18)12(4)8-13(12,14)15/h5,7-9H2,1-4H3
InChIKeyCLRXFMGPSBROBJ-UHFFFAOYSA-N
XLogP3.36
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide (CID 56805983) is 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide is CC(C)(C)CN(CCC#N)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is CLRXFMGPSBROBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-11(2,3)9-17(7-5-6-16)10(18)12(4)8-13(12,14)15/h5,7-9H2,1-4H3.
What are the key properties of 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 291.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 56805983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).