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

C21H25FN2O3 — CID 24983463

IUPAC(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(COC)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C21H25FN2O3/c1-23-20(25)21(14-26-2)12-11-19(24-21)15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)22/h3-10,19,24H,11-14H2,1-2H3,(H,23,25)/t19-,21-/m1/s1
InChIKeyUYKQTJPBTNXVMI-TZIWHRDSSA-N
MW372.44 g/mol
LogP2.96
Rot. Bonds7

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

(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 24983463) 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-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID24983463
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(COC)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C21H25FN2O3/c1-23-20(25)21(14-26-2)12-11-19(24-21)15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)22/h3-10,19,24H,11-14H2,1-2H3,(H,23,25)/t19-,21-/m1/s1
InChIKeyUYKQTJPBTNXVMI-TZIWHRDSSA-N
XLogP2.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate
CID 71054465
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 25064010
(5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 134692551
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 59468906
(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride
CID 66700633
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
1-O-tert-butyl 2-O-methyl (2R,5R)-2-(4-bromobut-2-enyl)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-1,2-dicarboxylate
CID 90830067
tert-butyl 2-[4-[(2-fluorophenyl)methoxy]phenyl]-5-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 69157010
methyl 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methyl-1,3-dioxane-2-carboxylate
CID 11501660
tert-butyl (2S,5S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 59468939
(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide
CID 164788192
cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 161335491

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (CID 24983463) is (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@]1(COC)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1.
What is the InChIKey of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is UYKQTJPBTNXVMI-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-23-20(25)21(14-26-2)12-11-19(24-21)15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)22/h3-10,19,24H,11-14H2,1-2H3,(H,23,25)/t19-,21-/m1/s1.
What are the key properties of (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.96, 7 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-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24983463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).