(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide

C15H20FNO3 — CID 102292638

IUPAC(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide
SMILESCCN(CC)C(=O)C[C@@H](O)CC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-3-17(4-2)15(20)10-11(18)9-14(19)12-7-5-6-8-13(12)16/h5-8,11,18H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyLLWTYJRCGGOPMK-NSHDSACASA-N
MW281.33 g/mol
LogP2.02
Rot. Bonds7

About (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide

(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide (PubChem CID 102292638) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide
PubChem CID102292638
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide
SMILESCCN(CC)C(=O)C[C@@H](O)CC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-3-17(4-2)15(20)10-11(18)9-14(19)12-7-5-6-8-13(12)16/h5-8,11,18H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyLLWTYJRCGGOPMK-NSHDSACASA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-fluorophenyl)-2-hydroxybutan-1-one
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1-(2-fluorophenyl)butane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide?
The IUPAC name of (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide (CID 102292638) is (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide.
What is the SMILES notation for (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide?
The canonical SMILES for (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide is CCN(CC)C(=O)C[C@@H](O)CC(=O)c1ccccc1F.
What is the InChIKey of (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide?
The InChIKey is LLWTYJRCGGOPMK-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-17(4-2)15(20)10-11(18)9-14(19)12-7-5-6-8-13(12)16/h5-8,11,18H,3-4,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide?
(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide has a molecular weight of 281.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide is sourced from PubChem (CID 102292638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).