ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate

C20H20FNO4 — CID 110298164

IUPACethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-2-26-20(25)16-6-3-4-7-17(16)22-19(24)9-5-8-18(23)14-10-12-15(21)13-11-14/h3-4,6-7,10-13H,2,5,8-9H2,1H3,(H,22,24)
InChIKeyAMWMMQMOUWAXAN-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.99
Rot. Bonds8

About ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate

ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate (PubChem CID 110298164) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
PubChem CID110298164
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Nameethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-2-26-20(25)16-6-3-4-7-17(16)22-19(24)9-5-8-18(23)14-10-12-15(21)13-11-14/h3-4,6-7,10-13H,2,5,8-9H2,1H3,(H,22,24)
InChIKeyAMWMMQMOUWAXAN-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
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methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate (CID 110298164) is ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate?
The InChIKey is AMWMMQMOUWAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-2-26-20(25)16-6-3-4-7-17(16)22-19(24)9-5-8-18(23)14-10-12-15(21)13-11-14/h3-4,6-7,10-13H,2,5,8-9H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate?
ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate has a molecular weight of 357.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate is sourced from PubChem (CID 110298164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).