5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide

C15H19FN2O3 — CID 67117853

IUPAC5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide
SMILESNC(=O)CCCCc1ccc(N2CCOCC2=O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-12-9-11(3-1-2-4-14(17)19)5-6-13(12)18-7-8-21-10-15(18)20/h5-6,9H,1-4,7-8,10H2,(H2,17,19)
InChIKeyFESYWGDNIUROFG-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.39
Rot. Bonds6

About 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide

5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide (PubChem CID 67117853) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide
PubChem CID67117853
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide
SMILESNC(=O)CCCCc1ccc(N2CCOCC2=O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-12-9-11(3-1-2-4-14(17)19)5-6-13(12)18-7-8-21-10-15(18)20/h5-6,9H,1-4,7-8,10H2,(H2,17,19)
InChIKeyFESYWGDNIUROFG-UHFFFAOYSA-N
XLogP1.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87868468
(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68689471
[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium
CID 137439146
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869026
(2S)-2-[2,2-difluoroethyl(2,2-dimethylpropyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869030
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
(2S)-3-amino-2-(2,2-difluoroethylcarbamoylamino)-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868308
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
CID 118177592
(2S)-2-[cyclobutylmethyl(2,2-difluoroethyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869136
2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide
CID 146106565

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
The IUPAC name of 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide (CID 67117853) is 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide.
What is the SMILES notation for 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
The canonical SMILES for 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide is NC(=O)CCCCc1ccc(N2CCOCC2=O)c(F)c1.
What is the InChIKey of 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
The InChIKey is FESYWGDNIUROFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-9-11(3-1-2-4-14(17)19)5-6-13(12)18-7-8-21-10-15(18)20/h5-6,9H,1-4,7-8,10H2,(H2,17,19).
What are the key properties of 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide has a molecular weight of 294.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pentanamide is sourced from PubChem (CID 67117853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).