ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate

C19H19ClFNO3 — CID 4553142

IUPACethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CC(NC(=O)Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-2-25-19(24)12-17(15-5-3-4-6-16(15)20)22-18(23)11-13-7-9-14(21)10-8-13/h3-10,17H,2,11-12H2,1H3,(H,22,23)
InChIKeyXYCCOCLRWLMGBJ-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.83
Rot. Bonds7

About ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate

ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate (PubChem CID 4553142) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate
PubChem CID4553142
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Nameethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CC(NC(=O)Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-2-25-19(24)12-17(15-5-3-4-6-16(15)20)22-18(23)11-13-7-9-14(21)10-8-13/h3-10,17H,2,11-12H2,1H3,(H,22,23)
InChIKeyXYCCOCLRWLMGBJ-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate (CID 4553142) is ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate is CCOC(=O)CC(NC(=O)Cc1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate?
The InChIKey is XYCCOCLRWLMGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-2-25-19(24)12-17(15-5-3-4-6-16(15)20)22-18(23)11-13-7-9-14(21)10-8-13/h3-10,17H,2,11-12H2,1H3,(H,22,23).
What are the key properties of ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate?
ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate has a molecular weight of 363.82 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)acetyl]amino]propanoate is sourced from PubChem (CID 4553142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).