(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide

C15H20FN3O2 — CID 122081452

IUPAC(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCOCC2)c1)[C@@H]1CCCN1
InChIInChI=1S/C15H20FN3O2/c16-11-8-12(18-15(20)14-2-1-3-17-14)10-13(9-11)19-4-6-21-7-5-19/h8-10,14,17H,1-7H2,(H,18,20)/t14-/m0/s1
InChIKeyHYRMTBSKCCEOLE-AWEZNQCLSA-N
MW293.34 g/mol
LogP1.35
Rot. Bonds3

About (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 122081452) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID122081452
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCOCC2)c1)[C@@H]1CCCN1
InChIInChI=1S/C15H20FN3O2/c16-11-8-12(18-15(20)14-2-1-3-17-14)10-13(9-11)19-4-6-21-7-5-19/h8-10,14,17H,1-7H2,(H,18,20)/t14-/m0/s1
InChIKeyHYRMTBSKCCEOLE-AWEZNQCLSA-N
XLogP1.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871807
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 107365936
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 129403478
1-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 119871802

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide (CID 122081452) is (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(F)cc(N2CCOCC2)c1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HYRMTBSKCCEOLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-11-8-12(18-15(20)14-2-1-3-17-14)10-13(9-11)19-4-6-21-7-5-19/h8-10,14,17H,1-7H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 122081452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).