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

C15H19FN2O3 — CID 94817707

IUPAC3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-10-3-4-12(9-13(10)16)14(19)17-11(2)15(20)18-5-7-21-8-6-18/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyXKKISRRCIZMNCC-LLVKDONJSA-N
MW294.33 g/mol
LogP1.11
Rot. Bonds3

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

3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (PubChem CID 94817707) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
PubChem CID94817707
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-10-3-4-12(9-13(10)16)14(19)17-11(2)15(20)18-5-7-21-8-6-18/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyXKKISRRCIZMNCC-LLVKDONJSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347765
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 104852991
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 99808858
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509087

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (CID 94817707) is 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The InChIKey is XKKISRRCIZMNCC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-3-4-12(9-13(10)16)14(19)17-11(2)15(20)18-5-7-21-8-6-18/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 94817707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).