3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

C17H23F2N3O3 — CID 113135341

IUPAC3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCN1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C17H23F2N3O3/c1-13(23)22(17-14(18)3-2-4-15(17)19)7-5-16(24)20-6-8-21-9-11-25-12-10-21/h2-4H,5-12H2,1H3,(H,20,24)
InChIKeyUINBKZSFWDGUFI-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.16
Rot. Bonds7

About 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 113135341) has the molecular formula C17H23F2N3O3 and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID113135341
Molecular FormulaC17H23F2N3O3
Molecular Weight355.38 g/mol
Exact Mass355.17
IUPAC Name3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCN1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C17H23F2N3O3/c1-13(23)22(17-14(18)3-2-4-15(17)19)7-5-16(24)20-6-8-21-9-11-25-12-10-21/h2-4H,5-12H2,1H3,(H,20,24)
InChIKeyUINBKZSFWDGUFI-UHFFFAOYSA-N
XLogP1.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113181389
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113128713
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
CID 113064554
methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176051
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 113135341) is 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is CC(=O)N(CCC(=O)NCCN1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is UINBKZSFWDGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3/c1-13(23)22(17-14(18)3-2-4-15(17)19)7-5-16(24)20-6-8-21-9-11-25-12-10-21/h2-4H,5-12H2,1H3,(H,20,24).
What are the key properties of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 355.38 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 113135341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).