5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide

C17H18FNO2 — CID 107861282

IUPAC5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(18)10-16(12)17(21)19-15(11-20)9-13-5-3-2-4-6-13/h2-8,10,15,20H,9,11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeySSSSBUXQMMIZPC-OAHLLOKOSA-N
MW287.33 g/mol
LogP2.47
Rot. Bonds5

About 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide

5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide (PubChem CID 107861282) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
PubChem CID107861282
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(18)10-16(12)17(21)19-15(11-20)9-13-5-3-2-4-6-13/h2-8,10,15,20H,9,11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeySSSSBUXQMMIZPC-OAHLLOKOSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
CID 129358679
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 116552398
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide (CID 107861282) is 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide is Cc1ccc(F)cc1C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide?
The InChIKey is SSSSBUXQMMIZPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-7-8-14(18)10-16(12)17(21)19-15(11-20)9-13-5-3-2-4-6-13/h2-8,10,15,20H,9,11H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide?
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 107861282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).