[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate

C19H20ClFN2O2 — CID 138694016

IUPAC[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate
SMILESCN1CC[C@@H](OC(=O)N(C)c2cc(F)ccc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O2/c1-22-9-8-16(12-22)25-19(24)23(2)18-11-15(21)6-7-17(18)13-4-3-5-14(20)10-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyQCTODXQUWNVZRD-MRXNPFEDSA-N
MW362.83 g/mol
LogP4.42
Rot. Bonds3

About [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate

[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate (PubChem CID 138694016) 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-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate
PubChem CID138694016
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate
SMILESCN1CC[C@@H](OC(=O)N(C)c2cc(F)ccc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O2/c1-22-9-8-16(12-22)25-19(24)23(2)18-11-15(21)6-7-17(18)13-4-3-5-14(20)10-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyQCTODXQUWNVZRD-MRXNPFEDSA-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

Analyze [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate?
The IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate (CID 138694016) is [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate.
What is the SMILES notation for [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate?
The canonical SMILES for [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate is CN1CC[C@@H](OC(=O)N(C)c2cc(F)ccc2-c2cccc(Cl)c2)C1.
What is the InChIKey of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate?
The InChIKey is QCTODXQUWNVZRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-22-9-8-16(12-22)25-19(24)23(2)18-11-15(21)6-7-17(18)13-4-3-5-14(20)10-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate?
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-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-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate is sourced from PubChem (CID 138694016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).