3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide

C17H23FN2O3 — CID 51089591

IUPAC3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
SMILESCC(CC(=O)NCCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c1-13(14-2-4-15(18)5-3-14)12-16(21)19-7-6-17(22)20-8-10-23-11-9-20/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyKHMWTKADBOUOAC-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.68
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide

3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide (PubChem CID 51089591) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
PubChem CID51089591
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
SMILESCC(CC(=O)NCCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c1-13(14-2-4-15(18)5-3-14)12-16(21)19-7-6-17(22)20-8-10-23-11-9-20/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyKHMWTKADBOUOAC-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide (CID 51089591) is 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide is CC(CC(=O)NCCC(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
The InChIKey is KHMWTKADBOUOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-13(14-2-4-15(18)5-3-14)12-16(21)19-7-6-17(22)20-8-10-23-11-9-20/h2-5,13H,6-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide?
3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide has a molecular weight of 322.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide is sourced from PubChem (CID 51089591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).