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

C21H25FN2O3 — CID 25064011

IUPAC(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(CO)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C21H25FN2O3/c1-24(2)20(26)21(14-25)12-11-19(23-21)15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)22/h3-10,19,23,25H,11-14H2,1-2H3/t19-,21-/m1/s1
InChIKeyZIGCZESSMIMKMS-TZIWHRDSSA-N
MW372.44 g/mol
LogP2.65
Rot. Bonds6

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

(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 25064011) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID25064011
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(CO)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C21H25FN2O3/c1-24(2)20(26)21(14-25)12-11-19(23-21)15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)22/h3-10,19,23,25H,11-14H2,1-2H3/t19-,21-/m1/s1
InChIKeyZIGCZESSMIMKMS-TZIWHRDSSA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
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,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 25064011) is (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=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,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ZIGCZESSMIMKMS-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-24(2)20(26)21(14-25)12-11-19(23-21)15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)22/h3-10,19,23,25H,11-14H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 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,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 25064011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).