ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate

C19H21FN2O3 — CID 18086054

IUPACethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC(C)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-25-19(24)14-8-10-15(11-9-14)22-18(23)12-21-13(2)16-6-4-5-7-17(16)20/h4-11,13,21H,3,12H2,1-2H3,(H,22,23)
InChIKeyDKLSUEWZRATSTC-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.29
Rot. Bonds7

About ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate

ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate (PubChem CID 18086054) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate
PubChem CID18086054
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Nameethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC(C)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-25-19(24)14-8-10-15(11-9-14)22-18(23)12-21-13(2)16-6-4-5-7-17(16)20/h4-11,13,21H,3,12H2,1-2H3,(H,22,23)
InChIKeyDKLSUEWZRATSTC-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate (CID 18086054) is ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNC(C)c2ccccc2F)cc1.
What is the InChIKey of ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate?
The InChIKey is DKLSUEWZRATSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-25-19(24)14-8-10-15(11-9-14)22-18(23)12-21-13(2)16-6-4-5-7-17(16)20/h4-11,13,21H,3,12H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate?
ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate has a molecular weight of 344.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate is sourced from PubChem (CID 18086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).