[1-(3,4-dichlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate

HCID 321871

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Basic information

CAS: 64618-27-5
Standard SMILES: CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc(Cl)c(Cl)c2)c1C
InChIKey: XCHKYVOLLHKICV-UHFFFAOYSA-N
Molecular formula: C18H21Cl2N3O4
Average molar mass: 414.3 g/mol
Monoisotopic mass: 413.0909115

Names & identifiers

Preferred name: [1-(3,4-dichlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC: [1-(3,4-dichlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate

Names & synonyms

64618-27-5NSC276363[1-(3,4-dichlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL3276900DTXSID50313738NSC-2763631H-Pyrrole-3, 1-(3,4-dichlorophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)[1-(3,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)

Database identifiers

CAS: 64618-27-5
PubChem CID: 321871
DTXSID: DTXSID50313738
ChEMBL: CHEMBL3276900

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 81.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 493

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