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

C20H22FN3O3 — CID 110196891

IUPAC(2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O3/c1-22-19(25)18-11-17(27-16-5-3-2-4-6-16)13-24(18)20(26)23-12-14-7-9-15(21)10-8-14/h2-10,17-18H,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+/m0/s1
InChIKeyWZPSHLADNAIYSS-ZWKOTPCHSA-N
MW371.41 g/mol
LogP2.30
Rot. Bonds5

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

(2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide (PubChem CID 110196891) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
PubChem CID110196891
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name(2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O3/c1-22-19(25)18-11-17(27-16-5-3-2-4-6-16)13-24(18)20(26)23-12-14-7-9-15(21)10-8-14/h2-10,17-18H,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+/m0/s1
InChIKeyWZPSHLADNAIYSS-ZWKOTPCHSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide (CID 110196891) is (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide is CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is WZPSHLADNAIYSS-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-22-19(25)18-11-17(27-16-5-3-2-4-6-16)13-24(18)20(26)23-12-14-7-9-15(21)10-8-14/h2-10,17-18H,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+/m0/s1.
What are the key properties of (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide?
(2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-N-[(4-fluorophenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110196891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).