N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide

C21H23FN2O3 — CID 46579437

IUPACN-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N1CCOC(c2ccc(F)cc2)C1)NC(=O)c1ccccc1
InChIInChI=1S/C21H23FN2O3/c1-15(23-21(26)17-5-3-2-4-6-17)13-20(25)24-11-12-27-19(14-24)16-7-9-18(22)10-8-16/h2-10,15,19H,11-14H2,1H3,(H,23,26)
InChIKeyDVJAARPXPGDYJA-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.93
Rot. Bonds5

About N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide

N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide (PubChem CID 46579437) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide
PubChem CID46579437
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N1CCOC(c2ccc(F)cc2)C1)NC(=O)c1ccccc1
InChIInChI=1S/C21H23FN2O3/c1-15(23-21(26)17-5-3-2-4-6-17)13-20(25)24-11-12-27-19(14-24)16-7-9-18(22)10-8-16/h2-10,15,19H,11-14H2,1H3,(H,23,26)
InChIKeyDVJAARPXPGDYJA-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone
CID 60500482
3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
CID 110619636
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
(2R)-2-(4-fluorophenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031044
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide (CID 46579437) is N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide is CC(CC(=O)N1CCOC(c2ccc(F)cc2)C1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide?
The InChIKey is DVJAARPXPGDYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-15(23-21(26)17-5-3-2-4-6-17)13-20(25)24-11-12-27-19(14-24)16-7-9-18(22)10-8-16/h2-10,15,19H,11-14H2,1H3,(H,23,26).
What are the key properties of N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide?
N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide has a molecular weight of 370.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46579437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).