2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

C13H12Cl4N2O2 — CID 78772127

IUPAC2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C13H12Cl4N2O2/c1-19(12(21)7-5-13(7,16)17)6-10(20)18-11-8(14)3-2-4-9(11)15/h2-4,7H,5-6H2,1H3,(H,18,20)
InChIKeyASBUYVMOKARCBZ-UHFFFAOYSA-N
MW370.06 g/mol
LogP3.58
Rot. Bonds4

About 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 78772127) has the molecular formula C13H12Cl4N2O2 and a molecular weight of 370.06 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID78772127
Molecular FormulaC13H12Cl4N2O2
Molecular Weight370.06 g/mol
Exact Mass367.97
IUPAC Name2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C13H12Cl4N2O2/c1-19(12(21)7-5-13(7,16)17)6-10(20)18-11-8(14)3-2-4-9(11)15/h2-4,7H,5-6H2,1H3,(H,18,20)
InChIKeyASBUYVMOKARCBZ-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.06
LogP ≤ 53.58
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-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78773366
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 26899017
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 11919743
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 18557275
(5S,7R)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-phenyladamantane-1-carboxamide
CID 52511314
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-tert-butyl-2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767892

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (CID 78772127) is 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is ASBUYVMOKARCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl4N2O2/c1-19(12(21)7-5-13(7,16)17)6-10(20)18-11-8(14)3-2-4-9(11)15/h2-4,7H,5-6H2,1H3,(H,18,20).
What are the key properties of 2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 370.06 g/mol, XLogP of 3.58, 4 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-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78772127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).