(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide

C20H23FN2O3 — CID 25064009

IUPAC(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(CO)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C20H23FN2O3/c1-22-19(25)20(13-24)11-10-18(23-20)14-6-8-16(9-7-14)26-12-15-4-2-3-5-17(15)21/h2-9,18,23-24H,10-13H2,1H3,(H,22,25)/t18-,20-/m1/s1
InChIKeyWHYBLFVFIXZYHP-UYAOXDASSA-N
MW358.41 g/mol
LogP2.31
Rot. Bonds6

About (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide

(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 25064009) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID25064009
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(CO)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C20H23FN2O3/c1-22-19(25)20(13-24)11-10-18(23-20)14-6-8-16(9-7-14)26-12-15-4-2-3-5-17(15)21/h2-9,18,23-24H,10-13H2,1H3,(H,22,25)/t18-,20-/m1/s1
InChIKeyWHYBLFVFIXZYHP-UYAOXDASSA-N
XLogP2.31
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide (CID 25064009) is (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@]1(CO)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1.
What is the InChIKey of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is WHYBLFVFIXZYHP-UYAOXDASSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-22-19(25)20(13-24)11-10-18(23-20)14-6-8-16(9-7-14)26-12-15-4-2-3-5-17(15)21/h2-9,18,23-24H,10-13H2,1H3,(H,22,25)/t18-,20-/m1/s1.
What are the key properties of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide?
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 25064009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).