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

C16H16FNO2 — CID 39086919

IUPAC3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c17-14-8-4-7-13(10-14)16(20)18-15(11-19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)/t15-/m1/s1
InChIKeyTWVWNVAPPWJXIK-OAHLLOKOSA-N
MW273.31 g/mol
LogP2.16
Rot. Bonds5

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

3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 39086919) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID39086919
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c17-14-8-4-7-13(10-14)16(20)18-15(11-19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)/t15-/m1/s1
InChIKeyTWVWNVAPPWJXIK-OAHLLOKOSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
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
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 39086919) is 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is TWVWNVAPPWJXIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-8-4-7-13(10-14)16(20)18-15(11-19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)/t15-/m1/s1.
What are the key properties of 3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.16, 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]benzamide is sourced from PubChem (CID 39086919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).