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

C19H21FN2O2 — CID 140725174

IUPAC[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate
SMILESCN1CC[C@@H](OC(=O)N(C)c2ccccc2-c2cccc(F)c2)C1
InChIInChI=1S/C19H21FN2O2/c1-21-11-10-16(13-21)24-19(23)22(2)18-9-4-3-8-17(18)14-6-5-7-15(20)12-14/h3-9,12,16H,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyPUZVYKRTTKQHQZ-MRXNPFEDSA-N
MW328.39 g/mol
LogP3.77
Rot. Bonds3

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

[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate (PubChem CID 140725174) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate
PubChem CID140725174
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate
SMILESCN1CC[C@@H](OC(=O)N(C)c2ccccc2-c2cccc(F)c2)C1
InChIInChI=1S/C19H21FN2O2/c1-21-11-10-16(13-21)24-19(23)22(2)18-9-4-3-8-17(18)14-6-5-7-15(20)12-14/h3-9,12,16H,10-11,13H2,1-2H3/t16-/m1/s1
InChIKeyPUZVYKRTTKQHQZ-MRXNPFEDSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate;phosphoric acid
CID 138693940
[(3S)-1-methylpyrrolidin-3-yl] N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-N-methylcarbamate
CID 140725176
[4-fluoro-2-(3-fluorophenyl)phenyl]-[[(3S)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411324
[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
CID 121411237
[2-(3-cyanophenyl)phenyl]-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411288
[2-(3-chloro-5-fluorophenyl)phenyl]-[[(3S)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411224
(1-methylpiperidin-4-yl) 3-fluorobenzoate;hydrochloride
CID 2942243
[2-(3-chloro-4-fluorophenyl)phenyl]-[[(3S)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411246
[4-fluoro-2-(3-methylphenyl)phenyl]-[[(3S)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411373
[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid
CID 121411512
[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate
CID 140725171
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate?
The IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate (CID 140725174) is [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate.
What is the SMILES notation for [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate?
The canonical SMILES for [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate is CN1CC[C@@H](OC(=O)N(C)c2ccccc2-c2cccc(F)c2)C1.
What is the InChIKey of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate?
The InChIKey is PUZVYKRTTKQHQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-21-11-10-16(13-21)24-19(23)22(2)18-9-4-3-8-17(18)14-6-5-7-15(20)12-14/h3-9,12,16H,10-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate?
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate has a molecular weight of 328.39 g/mol, XLogP of 3.77, 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-fluorophenyl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 140725174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).