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

C19H21FN2O2 — CID 11324918

IUPAC(2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c20-16-4-1-3-15(11-16)13-24-17-8-6-14(7-9-17)12-22-10-2-5-18(22)19(21)23/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H2,21,23)/t18-/m0/s1
InChIKeyFVANEFQOAUJITQ-SFHVURJKSA-N
MW328.39 g/mol
LogP2.85
Rot. Bonds6

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

(2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 11324918) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID11324918
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c20-16-4-1-3-15(11-16)13-24-17-8-6-14(7-9-17)12-22-10-2-5-18(22)19(21)23/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H2,21,23)/t18-/m0/s1
InChIKeyFVANEFQOAUJITQ-SFHVURJKSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131682
CID 131682
CID 3038502
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CID 5745207
CID 5745207
CID 10616
CID 10616
CID 16046068
CID 16046068
CID 16046067
CID 16046067
CID 10588118
CID 10588118
CID 5487407
CID 5487407
CID 10517190
CID 10517190
CID 10756633
CID 10756633
CID 23625355
CID 23625355
CID 23648304
CID 23648304

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 11324918) is (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FVANEFQOAUJITQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-4-1-3-15(11-16)13-24-17-8-6-14(7-9-17)12-22-10-2-5-18(22)19(21)23/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H2,21,23)/t18-/m0/s1.
What are the key properties of (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11324918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).