2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide

C16H20Cl2N2O2 — CID 51163473

IUPAC2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-4-11-7-5-6-8-12(11)19-13(21)9-20(3)14(22)15(2)10-16(15,17)18/h5-8H,4,9-10H2,1-3H3,(H,19,21)
InChIKeyHKCYWCWTBUZATH-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.23
Rot. Bonds5

About 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 51163473) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID51163473
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-4-11-7-5-6-8-12(11)19-13(21)9-20(3)14(22)15(2)10-16(15,17)18/h5-8H,4,9-10H2,1-3H3,(H,19,21)
InChIKeyHKCYWCWTBUZATH-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
CID 46563598
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78773366
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 134022471
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 51189142
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
CID 51726123
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide (CID 51163473) is 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is HKCYWCWTBUZATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-4-11-7-5-6-8-12(11)19-13(21)9-20(3)14(22)15(2)10-16(15,17)18/h5-8H,4,9-10H2,1-3H3,(H,19,21).
What are the key properties of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 51163473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).