(2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

C20H21FN2O3 — CID 110196907

IUPAC(2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H21FN2O3/c1-22-20(25)18-12-16(26-15-8-3-2-4-9-15)13-23(18)19(24)11-14-7-5-6-10-17(14)21/h2-10,16,18H,11-13H2,1H3,(H,22,25)/t16-,18+/m0/s1
InChIKeyJFBSDEQILOBTOK-FUHWJXTLSA-N
MW356.40 g/mol
LogP2.16
Rot. Bonds5

About (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

(2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110196907) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110196907
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H21FN2O3/c1-22-20(25)18-12-16(26-15-8-3-2-4-9-15)13-23(18)19(24)11-14-7-5-6-10-17(14)21/h2-10,16,18H,11-13H2,1H3,(H,22,25)/t16-,18+/m0/s1
InChIKeyJFBSDEQILOBTOK-FUHWJXTLSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide (CID 110196907) is (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide is CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is JFBSDEQILOBTOK-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-22-20(25)18-12-16(26-15-8-3-2-4-9-15)13-23(18)19(24)11-14-7-5-6-10-17(14)21/h2-10,16,18H,11-13H2,1H3,(H,22,25)/t16-,18+/m0/s1.
What are the key properties of (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
(2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[2-(2-fluorophenyl)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110196907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).