(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate

C20H20FNO4 — CID 2900218

IUPAC(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate
SMILESCC(OC(=O)CCCC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C20H20FNO4/c1-14(20(25)15-6-3-2-4-7-15)26-19(24)9-5-8-18(23)22-17-12-10-16(21)11-13-17/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,23)
InChIKeyOUBOSHKRFXTBBY-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.75
Rot. Bonds8

About (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate

(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate (PubChem CID 2900218) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate
PubChem CID2900218
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate
SMILESCC(OC(=O)CCCC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C20H20FNO4/c1-14(20(25)15-6-3-2-4-7-15)26-19(24)9-5-8-18(23)22-17-12-10-16(21)11-13-17/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,23)
InChIKeyOUBOSHKRFXTBBY-UHFFFAOYSA-N
XLogP3.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
CID 5107360
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-bromoanilino)-4-oxobutanoate
CID 2175918
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(4-nitroanilino)-4-oxobutanoate
CID 7182360
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-[[4-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 40736197
(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
CID 3365886
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 46810368
phenacyl 4-[[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 5016828
(1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
CID 4185102
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553372
(1-oxo-1-phenylbutan-2-yl) 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoate
CID 4305736
N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide
CID 11624372
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate (CID 2900218) is (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate is CC(OC(=O)CCCC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate?
The InChIKey is OUBOSHKRFXTBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-14(20(25)15-6-3-2-4-7-15)26-19(24)9-5-8-18(23)22-17-12-10-16(21)11-13-17/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,23).
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate?
(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate has a molecular weight of 357.38 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate is sourced from PubChem (CID 2900218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).