(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide

C18H20FN2O2+ — CID 164788192

IUPAC(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide
SMILESNC(=O)[C@@H]1CCC(c2ccc(OCc3ccccc3F)cc2)[NH2+]1
InChIInChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/p+1/t16?,17-/m0/s1
InChIKeyJESCETIFNOFKEU-DJNXLDHESA-O
MW315.37 g/mol
LogP1.66
Rot. Bonds5

About (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide

(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide (PubChem CID 164788192) has the molecular formula C18H20FN2O2+ and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide
PubChem CID164788192
Molecular FormulaC18H20FN2O2+
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide
SMILESNC(=O)[C@@H]1CCC(c2ccc(OCc3ccccc3F)cc2)[NH2+]1
InChIInChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/p+1/t16?,17-/m0/s1
InChIKeyJESCETIFNOFKEU-DJNXLDHESA-O
XLogP1.66
TPSA68.93 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 161335491
(5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 134692551
2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide
CID 90489760
5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one
CID 25178378
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 2372249
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phosphanylpyrrolidine-2-carboxamide;(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide;methane;hydroiodide
CID 158797664
2-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 20993194
1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one
CID 142781181
methyl (2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate
CID 71054465
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
[3-[(2-fluorophenyl)methoxy]phenyl] carbamate
CID 175148405

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide?
The IUPAC name of (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide (CID 164788192) is (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide.
What is the SMILES notation for (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide?
The canonical SMILES for (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide is NC(=O)[C@@H]1CCC(c2ccc(OCc3ccccc3F)cc2)[NH2+]1.
What is the InChIKey of (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide?
The InChIKey is JESCETIFNOFKEU-DJNXLDHESA-O. The full InChI is InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/p+1/t16?,17-/m0/s1.
What are the key properties of (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide?
(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide is sourced from PubChem (CID 164788192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).