4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide

C17H18FNO3 — CID 141366485

IUPAC4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide
SMILESCOC[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H18FNO3/c1-22-11-15(16(20)12-5-3-2-4-6-12)19-17(21)13-7-9-14(18)10-8-13/h2-10,15-16,20H,11H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyWWNXDBDGQRNCHO-HOTGVXAUSA-N
MW303.33 g/mol
LogP2.30
Rot. Bonds6

About 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide

4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide (PubChem CID 141366485) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide
PubChem CID141366485
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide
SMILESCOC[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H18FNO3/c1-22-11-15(16(20)12-5-3-2-4-6-12)19-17(21)13-7-9-14(18)10-8-13/h2-10,15-16,20H,11H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyWWNXDBDGQRNCHO-HOTGVXAUSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide (CID 141366485) is 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide is COC[C@H](NC(=O)c1ccc(F)cc1)[C@@H](O)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide?
The InChIKey is WWNXDBDGQRNCHO-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-22-11-15(16(20)12-5-3-2-4-6-12)19-17(21)13-7-9-14(18)10-8-13/h2-10,15-16,20H,11H2,1H3,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide?
4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide has a molecular weight of 303.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 141366485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).