(2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C19H19F3N2O2 — CID 139480632

IUPAC(2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F
InChIInChI=1S/C19H19F3N2O2/c20-14-3-1-2-12(6-14)11-26-16-5-4-13(17(22)8-16)9-24-10-15(21)7-18(24)19(23)25/h1-6,8,15,18H,7,9-11H2,(H2,23,25)/t15-,18-/m0/s1
InChIKeyJULMJMZTVWFIQX-YJBOKZPZSA-N
MW364.37 g/mol
LogP2.94
Rot. Bonds6

About (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 139480632) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID139480632
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F
InChIInChI=1S/C19H19F3N2O2/c20-14-3-1-2-12(6-14)11-26-16-5-4-13(17(22)8-16)9-24-10-15(21)7-18(24)19(23)25/h1-6,8,15,18H,7,9-11H2,(H2,23,25)/t15-,18-/m0/s1
InChIKeyJULMJMZTVWFIQX-YJBOKZPZSA-N
XLogP2.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Safinamide Mesylate
CID 3038502
Priralfinamide
CID 5745207
(2S,5R)-5-(4-((2-Fluorophenyl)methoxy)phenyl)-2-pyrrolidinecarboxamide
CID 16046068
Vixotrigine Hydrochloride
CID 16046067
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
(S)-N2-[4-(benzyloxy)benzyl]serinamide
CID 10756633
(S)-N2-{4-[(3-fluorobenzyl)oxy]benzyl}serinamide
CID 23625355
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304
N2-{4-[(3-fluorobenzyl)oxy]benzyl}glycinamide
CID 23625203

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 139480632) is (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F.
What is the InChIKey of (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is JULMJMZTVWFIQX-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-14-3-1-2-12(6-14)11-26-16-5-4-13(17(22)8-16)9-24-10-15(21)7-18(24)19(23)25/h1-6,8,15,18H,7,9-11H2,(H2,23,25)/t15-,18-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139480632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).