[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate

C19H21FN2O2 — CID 121425486

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate
SMILESCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-22-11-5-8-16(22)13-24-19(23)21-18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyOYPGBZSGVFVHBD-INIZCTEOSA-N
MW328.39 g/mol
LogP4.14
Rot. Bonds4

About [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate

[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate (PubChem CID 121425486) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate
PubChem CID121425486
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate
SMILESCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-22-11-5-8-16(22)13-24-19(23)21-18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyOYPGBZSGVFVHBD-INIZCTEOSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate (CID 121425486) is [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate is CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1cccc(F)c1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate?
The InChIKey is OYPGBZSGVFVHBD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-22-11-5-8-16(22)13-24-19(23)21-18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate?
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate has a molecular weight of 328.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 121425486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).