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

C19H21FN2O2 — CID 140725128

IUPAC[(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)O[C@H]1CCCN1C)c1ccccc1-c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-21-13-7-12-18(21)24-19(23)22(2)17-11-6-4-9-15(17)14-8-3-5-10-16(14)20/h3-6,8-11,18H,7,12-13H2,1-2H3/t18-/m0/s1
InChIKeyFFCJEQMXWGKQGA-SFHVURJKSA-N
MW328.39 g/mol
LogP4.12
Rot. Bonds3

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

[(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate (PubChem CID 140725128) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate
PubChem CID140725128
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)O[C@H]1CCCN1C)c1ccccc1-c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-21-13-7-12-18(21)24-19(23)22(2)17-11-6-4-9-15(17)14-8-3-5-10-16(14)20/h3-6,8-11,18H,7,12-13H2,1-2H3/t18-/m0/s1
InChIKeyFFCJEQMXWGKQGA-SFHVURJKSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate
CID 140725171
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-fluorophenyl)phenyl]-N-methylcarbamate
CID 140725174
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate;phosphoric acid
CID 138693940
[2-(2,4-dichlorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
CID 121411435
[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
CID 121411237
[2-(2,3-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid
CID 121411292
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95302784
[(3S)-1-methylpyrrolidin-3-yl] N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-N-methylcarbamate
CID 140725176
[2-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamic acid
CID 121411500
cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid
CID 175284772
[1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 70253294
[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid
CID 121411512

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate (CID 140725128) is [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate is CN(C(=O)O[C@H]1CCCN1C)c1ccccc1-c1ccccc1F.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate?
The InChIKey is FFCJEQMXWGKQGA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-21-13-7-12-18(21)24-19(23)22(2)17-11-6-4-9-15(17)14-8-3-5-10-16(14)20/h3-6,8-11,18H,7,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate?
[(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate has a molecular weight of 328.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 140725128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).