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

C22H27FN2O3 — CID 25064010

IUPAC(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOC[C@@]1(C(=O)N(C)C)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C22H27FN2O3/c1-25(2)21(26)22(15-27-3)13-12-20(24-22)16-8-10-18(11-9-16)28-14-17-6-4-5-7-19(17)23/h4-11,20,24H,12-15H2,1-3H3/t20-,22-/m1/s1
InChIKeyVDYBWOKFKRYNKQ-IFMALSPDSA-N
MW386.47 g/mol
LogP3.30
Rot. Bonds7

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

(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 25064010) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID25064010
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOC[C@@]1(C(=O)N(C)C)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C22H27FN2O3/c1-25(2)21(26)22(15-27-3)13-12-20(24-22)16-8-10-18(11-9-16)28-14-17-6-4-5-7-19(17)23/h4-11,20,24H,12-15H2,1-3H3/t20-,22-/m1/s1
InChIKeyVDYBWOKFKRYNKQ-IFMALSPDSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
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-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 25064010) is (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide is COC[C@@]1(C(=O)N(C)C)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1.
What is the InChIKey of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is VDYBWOKFKRYNKQ-IFMALSPDSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-25(2)21(26)22(15-27-3)13-12-20(24-22)16-8-10-18(11-9-16)28-14-17-6-4-5-7-19(17)23/h4-11,20,24H,12-15H2,1-3H3/t20-,22-/m1/s1.
What are the key properties of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 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-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 25064010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).