2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide

C20H23FN2O2 — CID 7610454

IUPAC2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)18(23-19(24)16-10-6-7-11-17(16)21)20(25)22-13-12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyAJXBVQRQNHLIPQ-SFHVURJKSA-N
MW342.41 g/mol
LogP2.94
Rot. Bonds7

About 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide

2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide (PubChem CID 7610454) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
PubChem CID7610454
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)18(23-19(24)16-10-6-7-11-17(16)21)20(25)22-13-12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyAJXBVQRQNHLIPQ-SFHVURJKSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide (CID 7610454) is 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The InChIKey is AJXBVQRQNHLIPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(2)18(23-19(24)16-10-6-7-11-17(16)21)20(25)22-13-12-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 7610454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).