3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

C15H22FN3O2 — CID 109016608

IUPAC3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1)NCCN1CCOCC1
InChIInChI=1S/C15H22FN3O2/c16-13-1-3-14(4-2-13)17-6-5-15(20)18-7-8-19-9-11-21-12-10-19/h1-4,17H,5-12H2,(H,18,20)
InChIKeyXVNJYMSKKPGFOP-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.08
Rot. Bonds7

About 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 109016608) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID109016608
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1)NCCN1CCOCC1
InChIInChI=1S/C15H22FN3O2/c16-13-1-3-14(4-2-13)17-6-5-15(20)18-7-8-19-9-11-21-12-10-19/h1-4,17H,5-12H2,(H,18,20)
InChIKeyXVNJYMSKKPGFOP-UHFFFAOYSA-N
XLogP1.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109016647
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213344
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 109016608) is 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCNc1ccc(F)cc1)NCCN1CCOCC1.
What is the InChIKey of 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is XVNJYMSKKPGFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-13-1-3-14(4-2-13)17-6-5-15(20)18-7-8-19-9-11-21-12-10-19/h1-4,17H,5-12H2,(H,18,20).
What are the key properties of 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 109016608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).