(5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate

C21H15FN2O4 — CID 55546907

IUPAC(5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate
SMILESN#Cc1ccc(F)c(COC(=O)C(NC(=O)c2ccco2)c2ccccc2)c1
InChIInChI=1S/C21H15FN2O4/c22-17-9-8-14(12-23)11-16(17)13-28-21(26)19(15-5-2-1-3-6-15)24-20(25)18-7-4-10-27-18/h1-11,19H,13H2,(H,24,25)
InChIKeyWXXIKMINWURYJR-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.50
Rot. Bonds6

About (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate

(5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate (PubChem CID 55546907) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate.

Molecular Properties

Compound Name(5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate
PubChem CID55546907
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name(5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate
SMILESN#Cc1ccc(F)c(COC(=O)C(NC(=O)c2ccco2)c2ccccc2)c1
InChIInChI=1S/C21H15FN2O4/c22-17-9-8-14(12-23)11-16(17)13-28-21(26)19(15-5-2-1-3-6-15)24-20(25)18-7-4-10-27-18/h1-11,19H,13H2,(H,24,25)
InChIKeyWXXIKMINWURYJR-UHFFFAOYSA-N
XLogP3.50
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate?
The IUPAC name of (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate (CID 55546907) is (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate.
What is the SMILES notation for (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate?
The canonical SMILES for (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate is N#Cc1ccc(F)c(COC(=O)C(NC(=O)c2ccco2)c2ccccc2)c1.
What is the InChIKey of (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate?
The InChIKey is WXXIKMINWURYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c22-17-9-8-14(12-23)11-16(17)13-28-21(26)19(15-5-2-1-3-6-15)24-20(25)18-7-4-10-27-18/h1-11,19H,13H2,(H,24,25).
What are the key properties of (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate?
(5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate has a molecular weight of 378.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2-fluorophenyl)methyl 2-(furan-2-carbonylamino)-2-phenylacetate is sourced from PubChem (CID 55546907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).