N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide

C17H18FNO3 — CID 97069041

IUPACN-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-12(17(21)13-7-9-14(18)10-8-13)19-16(20)11-22-15-5-3-2-4-6-15/h2-10,12,17,21H,11H2,1H3,(H,19,20)/t12-,17-/m0/s1
InChIKeyPVEJVYXGLHELFT-SJCJKPOMSA-N
MW303.33 g/mol
LogP2.44
Rot. Bonds6

About N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide

N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide (PubChem CID 97069041) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide
PubChem CID97069041
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-12(17(21)13-7-9-14(18)10-8-13)19-16(20)11-22-15-5-3-2-4-6-15/h2-10,12,17,21H,11H2,1H3,(H,19,20)/t12-,17-/m0/s1
InChIKeyPVEJVYXGLHELFT-SJCJKPOMSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
CID 10891430
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000365
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-cyclohexyloxy-N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 97237223
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide
CID 166355944

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide (CID 97069041) is N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide is C[C@H](NC(=O)COc1ccccc1)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide?
The InChIKey is PVEJVYXGLHELFT-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-12(17(21)13-7-9-14(18)10-8-13)19-16(20)11-22-15-5-3-2-4-6-15/h2-10,12,17,21H,11H2,1H3,(H,19,20)/t12-,17-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide?
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide has a molecular weight of 303.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 97069041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).