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

C19H20F2N2O2 — CID 139480631

IUPAC(2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H20F2N2O2/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-23-11-16(21)9-18(23)19(22)24/h1-8,16,18H,9-12H2,(H2,22,24)/t16-,18-/m0/s1
InChIKeyLQAIMOYHJBOUSX-WMZOPIPTSA-N
MW346.38 g/mol
LogP2.80
Rot. Bonds6

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

(2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 139480631) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID139480631
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H20F2N2O2/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-23-11-16(21)9-18(23)19(22)24/h1-8,16,18H,9-12H2,(H2,22,24)/t16-,18-/m0/s1
InChIKeyLQAIMOYHJBOUSX-WMZOPIPTSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 139480631) is (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LQAIMOYHJBOUSX-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-23-11-16(21)9-18(23)19(22)24/h1-8,16,18H,9-12H2,(H2,22,24)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.80, 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-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139480631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).