ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate

C16H16ClNO4 — CID 3242923

IUPACethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO4/c1-2-21-15(19)10-13(11-6-3-4-7-12(11)17)18-16(20)14-8-5-9-22-14/h3-9,13H,2,10H2,1H3,(H,18,20)
InChIKeyWDKFXXYJOUPOEM-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.36
Rot. Bonds6

About ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate

ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate (PubChem CID 3242923) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate
PubChem CID3242923
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Nameethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO4/c1-2-21-15(19)10-13(11-6-3-4-7-12(11)17)18-16(20)14-8-5-9-22-14/h3-9,13H,2,10H2,1H3,(H,18,20)
InChIKeyWDKFXXYJOUPOEM-UHFFFAOYSA-N
XLogP3.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate (CID 3242923) is ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate is CCOC(=O)CC(NC(=O)c1ccco1)c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate?
The InChIKey is WDKFXXYJOUPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-2-21-15(19)10-13(11-6-3-4-7-12(11)17)18-16(20)14-8-5-9-22-14/h3-9,13H,2,10H2,1H3,(H,18,20).
What are the key properties of ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate?
ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate has a molecular weight of 321.76 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 3242923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).