3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide

C17H18FNO2 — CID 107861214

IUPAC3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](CO)Cc2ccccc2)cc1F
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(10-16(12)18)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
InChIKeySZILOQVLSZWOKR-OAHLLOKOSA-N
MW287.33 g/mol
LogP2.47
Rot. Bonds5

About 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide

3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide (PubChem CID 107861214) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
PubChem CID107861214
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](CO)Cc2ccccc2)cc1F
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(10-16(12)18)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
InChIKeySZILOQVLSZWOKR-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

3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
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
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide (CID 107861214) is 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](CO)Cc2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide?
The InChIKey is SZILOQVLSZWOKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-7-8-14(10-16(12)18)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 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide?
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-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 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 107861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).