5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C20H16ClFN2O3 — CID 17497048

IUPAC5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H16ClFN2O3/c1-24(12-19(25)23-16-4-2-3-15(22)11-16)20(26)18-10-9-17(27-18)13-5-7-14(21)8-6-13/h2-11H,12H2,1H3,(H,23,25)
InChIKeyOKLULIJQXXSTDA-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.45
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 17497048) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID17497048
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC Name5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H16ClFN2O3/c1-24(12-19(25)23-16-4-2-3-15(22)11-16)20(26)18-10-9-17(27-18)13-5-7-14(21)8-6-13/h2-11H,12H2,1H3,(H,23,25)
InChIKeyOKLULIJQXXSTDA-UHFFFAOYSA-N
XLogP4.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 17497048) is 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is OKLULIJQXXSTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c1-24(12-19(25)23-16-4-2-3-15(22)11-16)20(26)18-10-9-17(27-18)13-5-7-14(21)8-6-13/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 17497048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).