N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide

C16H22FN3O2 — CID 119892449

IUPACN-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1N1CCOCC1)C1CCCN1
InChIInChI=1S/C16H22FN3O2/c17-13-3-4-15(20-6-8-22-9-7-20)12(10-13)11-19-16(21)14-2-1-5-18-14/h3-4,10,14,18H,1-2,5-9,11H2,(H,19,21)
InChIKeyZYASSOVGMGKUDW-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.03
Rot. Bonds4

About N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide

N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 119892449) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID119892449
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1N1CCOCC1)C1CCCN1
InChIInChI=1S/C16H22FN3O2/c17-13-3-4-15(20-6-8-22-9-7-20)12(10-13)11-19-16(21)14-2-1-5-18-14/h3-4,10,14,18H,1-2,5-9,11H2,(H,19,21)
InChIKeyZYASSOVGMGKUDW-UHFFFAOYSA-N
XLogP1.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea
CID 167968899
2-amino-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801004
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119275550
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969
(2R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119834947
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 119892449) is N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(F)ccc1N1CCOCC1)C1CCCN1.
What is the InChIKey of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZYASSOVGMGKUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-13-3-4-15(20-6-8-22-9-7-20)12(10-13)11-19-16(21)14-2-1-5-18-14/h3-4,10,14,18H,1-2,5-9,11H2,(H,19,21).
What are the key properties of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119892449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).