[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate

C19H20ClFN2O2 — CID 134283857

IUPAC[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate
SMILESCN1CC[C@@H](OC(=O)N(C)c2ccccc2-c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O2/c1-22-10-9-14(12-22)25-19(24)23(2)18-6-4-3-5-15(18)13-7-8-17(21)16(20)11-13/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyMFLHEBRVLLBJSD-CQSZACIVSA-N
MW362.83 g/mol
LogP4.42
Rot. Bonds3

About [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate

[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate (PubChem CID 134283857) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate
PubChem CID134283857
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate
SMILESCN1CC[C@@H](OC(=O)N(C)c2ccccc2-c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O2/c1-22-10-9-14(12-22)25-19(24)23(2)18-6-4-3-5-15(18)13-7-8-17(21)16(20)11-13/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyMFLHEBRVLLBJSD-CQSZACIVSA-N
XLogP4.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate?
The IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate (CID 134283857) is [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate.
What is the SMILES notation for [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate?
The canonical SMILES for [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate is CN1CC[C@@H](OC(=O)N(C)c2ccccc2-c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate?
The InChIKey is MFLHEBRVLLBJSD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-22-10-9-14(12-22)25-19(24)23(2)18-6-4-3-5-15(18)13-7-8-17(21)16(20)11-13/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate?
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate has a molecular weight of 362.83 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 134283857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).