ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate

C22H21FN2O2 — CID 2803848

IUPACethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(Nc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C22H21FN2O2/c1-2-27-22(26)20(16-8-4-3-5-9-16)21(19-10-6-7-15-24-19)25-18-13-11-17(23)12-14-18/h3-15,20-21,25H,2H2,1H3
InChIKeyKUZBDZRWWYEGFK-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.72
Rot. Bonds7

About ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate

ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate (PubChem CID 2803848) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
PubChem CID2803848
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Nameethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(Nc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C22H21FN2O2/c1-2-27-22(26)20(16-8-4-3-5-9-16)21(19-10-6-7-15-24-19)25-18-13-11-17(23)12-14-18/h3-15,20-21,25H,2H2,1H3
InChIKeyKUZBDZRWWYEGFK-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate (CID 2803848) is ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate is CCOC(=O)C(c1ccccc1)C(Nc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
The InChIKey is KUZBDZRWWYEGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-2-27-22(26)20(16-8-4-3-5-9-16)21(19-10-6-7-15-24-19)25-18-13-11-17(23)12-14-18/h3-15,20-21,25H,2H2,1H3.
What are the key properties of ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate has a molecular weight of 364.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 2803848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).