3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

C14H17FN2O3 — CID 110347745

IUPAC3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C14H17FN2O3/c1-10(14(19)17-5-7-20-8-6-17)16-13(18)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyXBOYETRPZNIBMA-JTQLQIEISA-N
MW280.30 g/mol
LogP0.80
Rot. Bonds3

About 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (PubChem CID 110347745) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
PubChem CID110347745
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C14H17FN2O3/c1-10(14(19)17-5-7-20-8-6-17)16-13(18)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyXBOYETRPZNIBMA-JTQLQIEISA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86926583
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 95591250
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (CID 110347745) is 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCOCC1.
What is the InChIKey of 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The InChIKey is XBOYETRPZNIBMA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-10(14(19)17-5-7-20-8-6-17)16-13(18)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide has a molecular weight of 280.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 110347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).