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

C17H18FNO2 — CID 102673606

IUPAC3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)N[C@H](CO)Cc2ccccc2)c1
InChIInChI=1S/C17H18FNO2/c1-12-7-14(10-15(18)8-12)17(21)19-16(11-20)9-13-5-3-2-4-6-13/h2-8,10,16,20H,9,11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyYGTSOHZFTJCTRM-INIZCTEOSA-N
MW287.33 g/mol
LogP2.47
Rot. Bonds5

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

3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide (PubChem CID 102673606) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
PubChem CID102673606
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)N[C@H](CO)Cc2ccccc2)c1
InChIInChI=1S/C17H18FNO2/c1-12-7-14(10-15(18)8-12)17(21)19-16(11-20)9-13-5-3-2-4-6-13/h2-8,10,16,20H,9,11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyYGTSOHZFTJCTRM-INIZCTEOSA-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-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
CID 104852694
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
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide (CID 102673606) is 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide is Cc1cc(F)cc(C(=O)N[C@H](CO)Cc2ccccc2)c1.
What is the InChIKey of 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide?
The InChIKey is YGTSOHZFTJCTRM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-7-14(10-15(18)8-12)17(21)19-16(11-20)9-13-5-3-2-4-6-13/h2-8,10,16,20H,9,11H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide?
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-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-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 102673606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).