2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide

C21H24FNO3 — CID 112772148

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C21H24FNO3/c1-14(2)11-19(16-7-5-4-6-8-16)23-21(25)13-26-20-10-9-17(22)12-18(20)15(3)24/h4-10,12,14,19H,11,13H2,1-3H3,(H,23,25)
InChIKeyGXBTUQTUFDVGMH-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.31
Rot. Bonds8

About 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide

2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide (PubChem CID 112772148) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
PubChem CID112772148
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C21H24FNO3/c1-14(2)11-19(16-7-5-4-6-8-16)23-21(25)13-26-20-10-9-17(22)12-18(20)15(3)24/h4-10,12,14,19H,11,13H2,1-3H3,(H,23,25)
InChIKeyGXBTUQTUFDVGMH-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8520569
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide
CID 112842045
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8533848
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028682
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438
propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 55439728

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide (CID 112772148) is 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide is CC(=O)c1cc(F)ccc1OCC(=O)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
The InChIKey is GXBTUQTUFDVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-14(2)11-19(16-7-5-4-6-8-16)23-21(25)13-26-20-10-9-17(22)12-18(20)15(3)24/h4-10,12,14,19H,11,13H2,1-3H3,(H,23,25).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide is sourced from PubChem (CID 112772148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).