4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide

C17H23FN2O3 — CID 4883577

IUPAC4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C17H23FN2O3/c1-11(2)15(17(22)19-10-14-4-3-9-23-14)20-16(21)12-5-7-13(18)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZBGKLXRMMOMFET-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.88
Rot. Bonds6

About 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide (PubChem CID 4883577) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
PubChem CID4883577
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C17H23FN2O3/c1-11(2)15(17(22)19-10-14-4-3-9-23-14)20-16(21)12-5-7-13(18)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZBGKLXRMMOMFET-UHFFFAOYSA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide (CID 4883577) is 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCC1CCCO1.
What is the InChIKey of 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
The InChIKey is ZBGKLXRMMOMFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-11(2)15(17(22)19-10-14-4-3-9-23-14)20-16(21)12-5-7-13(18)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide has a molecular weight of 322.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 4883577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).