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

C8H11Cl2NO — CID 78785037

IUPAC2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CC2)CC1(Cl)Cl
InChIInChI=1S/C8H11Cl2NO/c1-7(4-8(7,9)10)6(12)11-5-2-3-5/h5H,2-4H2,1H3,(H,11,12)
InChIKeyBZHCTUIHDUAYFQ-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.85
Rot. Bonds2

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

2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide (PubChem CID 78785037) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide
PubChem CID78785037
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CC2)CC1(Cl)Cl
InChIInChI=1S/C8H11Cl2NO/c1-7(4-8(7,9)10)6(12)11-5-2-3-5/h5H,2-4H2,1H3,(H,11,12)
InChIKeyBZHCTUIHDUAYFQ-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.85
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-cyclopropyl-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide (CID 78785037) is 2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NC2CC2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide?
The InChIKey is BZHCTUIHDUAYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO/c1-7(4-8(7,9)10)6(12)11-5-2-3-5/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide has a molecular weight of 208.09 g/mol, XLogP of 1.85, 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-cyclopropyl-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78785037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).