2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide

C11H18Cl2N2O2 — CID 47031210

IUPAC2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H18Cl2N2O2/c1-5-15(6-8(16)14(3)4)9(17)10(2)7-11(10,12)13/h5-7H2,1-4H3
InChIKeyNFWUFAKOZRIULH-UHFFFAOYSA-N
MW281.18 g/mol
LogP1.51
Rot. Bonds4

About 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide (PubChem CID 47031210) has the molecular formula C11H18Cl2N2O2 and a molecular weight of 281.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide
PubChem CID47031210
Molecular FormulaC11H18Cl2N2O2
Molecular Weight281.18 g/mol
Exact Mass280.07
IUPAC Name2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H18Cl2N2O2/c1-5-15(6-8(16)14(3)4)9(17)10(2)7-11(10,12)13/h5-7H2,1-4H3
InChIKeyNFWUFAKOZRIULH-UHFFFAOYSA-N
XLogP1.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.51
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-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide (CID 47031210) is 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide is CCN(CC(=O)N(C)C)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide?
The InChIKey is NFWUFAKOZRIULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N2O2/c1-5-15(6-8(16)14(3)4)9(17)10(2)7-11(10,12)13/h5-7H2,1-4H3.
What are the key properties of 2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide has a molecular weight of 281.18 g/mol, XLogP of 1.51, 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-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47031210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).