(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate

C29H26FNO7 — CID 5107360

IUPAC(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C29H26FNO7/c1-19(28(35)21-6-3-2-4-7-21)38-29(36)22-12-16-24(17-13-22)31-26(33)8-5-9-27(34)37-18-25(32)20-10-14-23(30)15-11-20/h2-4,6-7,10-17,19H,5,8-9,18H2,1H3,(H,31,33)
InChIKeyVGWKPSVKULAJLJ-UHFFFAOYSA-N
MW519.53 g/mol
LogP4.79
Rot. Bonds12

About (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate

(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate (PubChem CID 5107360) has the molecular formula C29H26FNO7 and a molecular weight of 519.53 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
PubChem CID5107360
Molecular FormulaC29H26FNO7
Molecular Weight519.53 g/mol
Exact Mass519.17
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C29H26FNO7/c1-19(28(35)21-6-3-2-4-7-21)38-29(36)22-12-16-24(17-13-22)31-26(33)8-5-9-27(34)37-18-25(32)20-10-14-23(30)15-11-20/h2-4,6-7,10-17,19H,5,8-9,18H2,1H3,(H,31,33)
InChIKeyVGWKPSVKULAJLJ-UHFFFAOYSA-N
XLogP4.79
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
CID 3365886
(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate
CID 2900218
(1-oxo-1-phenylpropan-2-yl) 4-[[4-oxo-4-(2-oxo-2-thiophen-2-ylethoxy)butanoyl]amino]benzoate
CID 5104878
phenacyl 4-[[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 5016828
2-methylpropyl 4-[(4-oxo-4-phenacyloxybutanoyl)amino]benzoate
CID 3112611
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-[[4-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 40736197
butyl 4-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 4219345
[2-(4-methylphenyl)-2-oxoethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate
CID 3638806
[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 3827304
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655
methyl 4-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7764445
(2-oxo-2-thiophen-2-ylethyl) 5-(4-fluoroanilino)-5-oxopentanoate
CID 3158842

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate (CID 5107360) is (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate is CC(OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
The InChIKey is VGWKPSVKULAJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FNO7/c1-19(28(35)21-6-3-2-4-7-21)38-29(36)22-12-16-24(17-13-22)31-26(33)8-5-9-27(34)37-18-25(32)20-10-14-23(30)15-11-20/h2-4,6-7,10-17,19H,5,8-9,18H2,1H3,(H,31,33).
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate has a molecular weight of 519.53 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-fluorophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate is sourced from PubChem (CID 5107360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).