2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide

C8H13Cl2NO — CID 78833690

IUPAC2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-3-11(4-2)7(12)6-5-8(6,9)10/h6H,3-5H2,1-2H3
InChIKeyRTAOQJACXICUMQ-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.05
Rot. Bonds3

About 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide

2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide (PubChem CID 78833690) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide
PubChem CID78833690
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-3-11(4-2)7(12)6-5-8(6,9)10/h6H,3-5H2,1-2H3
InChIKeyRTAOQJACXICUMQ-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.05
H-Bond Donors ≤ 50
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,N-diethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide (CID 78833690) is 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide?
The InChIKey is RTAOQJACXICUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-3-11(4-2)7(12)6-5-8(6,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide?
2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide has a molecular weight of 210.10 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide is sourced from PubChem (CID 78833690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).