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

C15H18Cl2N2O2 — CID 78773366

IUPAC2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-3-10-6-4-5-7-12(10)18-13(20)9-19(2)14(21)11-8-15(11,16)17/h4-7,11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyNIIYQHUFYHBXFU-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.84
Rot. Bonds5

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

2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 78773366) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID78773366
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-3-10-6-4-5-7-12(10)18-13(20)9-19(2)14(21)11-8-15(11,16)17/h4-7,11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyNIIYQHUFYHBXFU-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 51163473
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 51189142
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175223
(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918817
tert-butyl 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 9378593
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429401
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

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (CID 78773366) is 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is NIIYQHUFYHBXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-3-10-6-4-5-7-12(10)18-13(20)9-19(2)14(21)11-8-15(11,16)17/h4-7,11H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 2.84, 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-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78773366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).