ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate

C19H18FNO6 — CID 7791717

IUPACethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H18FNO6/c1-2-25-19(24)15-5-3-4-6-16(15)21-17(22)11-27-18(23)12-26-14-9-7-13(20)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyALVPJYWROXLQDN-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.56
Rot. Bonds8

About ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7791717) has the molecular formula C19H18FNO6 and a molecular weight of 375.35 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID7791717
Molecular FormulaC19H18FNO6
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Nameethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H18FNO6/c1-2-25-19(24)15-5-3-4-6-16(15)21-17(22)11-27-18(23)12-26-14-9-7-13(20)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyALVPJYWROXLQDN-UHFFFAOYSA-N
XLogP2.56
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate (CID 7791717) is ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is ALVPJYWROXLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO6/c1-2-25-19(24)15-5-3-4-6-16(15)21-17(22)11-27-18(23)12-26-14-9-7-13(20)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 375.35 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7791717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).