2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide

C13H21Cl2NO — CID 4577033

IUPAC2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CCCCCCC2)CC1(Cl)Cl
InChIInChI=1S/C13H21Cl2NO/c1-12(9-13(12,14)15)11(17)16-10-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyHIXMCRHKCSDPDK-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.80
Rot. Bonds2

About 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide (PubChem CID 4577033) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide
PubChem CID4577033
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC Name2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CCCCCCC2)CC1(Cl)Cl
InChIInChI=1S/C13H21Cl2NO/c1-12(9-13(12,14)15)11(17)16-10-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyHIXMCRHKCSDPDK-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclooctyl-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide (CID 4577033) is 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NC2CCCCCCC2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide?
The InChIKey is HIXMCRHKCSDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2NO/c1-12(9-13(12,14)15)11(17)16-10-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide has a molecular weight of 278.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 4577033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).