(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide

C21H24FNO3 — CID 52834656

IUPAC(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide
SMILESCC(=O)c1cccc(O[C@@H](C)C(=O)NCC(C)(C)c2ccccc2F)c1
InChIInChI=1S/C21H24FNO3/c1-14(24)16-8-7-9-17(12-16)26-15(2)20(25)23-13-21(3,4)18-10-5-6-11-19(18)22/h5-12,15H,13H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyFIMTXQMSTYSPAS-HNNXBMFYSA-N
MW357.43 g/mol
LogP3.89
Rot. Bonds7

About (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide

(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide (PubChem CID 52834656) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide
PubChem CID52834656
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide
SMILESCC(=O)c1cccc(O[C@@H](C)C(=O)NCC(C)(C)c2ccccc2F)c1
InChIInChI=1S/C21H24FNO3/c1-14(24)16-8-7-9-17(12-16)26-15(2)20(25)23-13-21(3,4)18-10-5-6-11-19(18)22/h5-12,15H,13H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyFIMTXQMSTYSPAS-HNNXBMFYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 51141716
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide?
The IUPAC name of (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide (CID 52834656) is (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide?
The canonical SMILES for (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide is CC(=O)c1cccc(O[C@@H](C)C(=O)NCC(C)(C)c2ccccc2F)c1.
What is the InChIKey of (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide?
The InChIKey is FIMTXQMSTYSPAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-14(24)16-8-7-9-17(12-16)26-15(2)20(25)23-13-21(3,4)18-10-5-6-11-19(18)22/h5-12,15H,13H2,1-4H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide?
(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 52834656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).