Rel-tert-butyl ((3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl)(methyl)carbamate

HCID 58009331

Basic information

Standard SMILES
CN(C(=O)OC(C)(C)C)[C@H]1CNC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIKey
AKDDGBOFNAEWAT-RISCZKNCSA-N
Molecular formula
C16H22Cl2N2O2
Average molar mass
345.3 g/mol

Names & identifiers

Preferred name
Rel-tert-butyl ((3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl)(methyl)carbamate
IUPAC
tert-butyl N-[(3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylcarbamate

Names & synonyms

Rel-tert-butyl ((3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl)(methyl)carbamateSCHEMBL1974817AKDDGBOFNAEWAT-RISCZKNCSA-N[(3R,4S)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester1201187-22-5rac-[(3R,4S)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
58009331

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

Related reactions

5 records

Compound notes

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