3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide

C21H24FN3O3 — CID 113126781

IUPAC3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O3/c1-16(26)25(19-8-4-2-6-17(19)22)11-10-21(27)23-18-7-3-5-9-20(18)24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyYLJMLXJGACFROV-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.04
Rot. Bonds6

About 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide

3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 113126781) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID113126781
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O3/c1-16(26)25(19-8-4-2-6-17(19)22)11-10-21(27)23-18-7-3-5-9-20(18)24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyYLJMLXJGACFROV-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
CID 113132196
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
CID 113132150
3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 113122957
2-(N-acetyl-2,4,6-trimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 113170062
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide (CID 113126781) is 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is YLJMLXJGACFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-16(26)25(19-8-4-2-6-17(19)22)11-10-21(27)23-18-7-3-5-9-20(18)24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,23,27).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 385.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 113126781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).