N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide

C20H16ClFN2O3 — CID 9090052

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H16ClFN2O3/c1-24(12-19(25)23-16-5-3-2-4-15(16)21)20(26)18-11-10-17(27-18)13-6-8-14(22)9-7-13/h2-11H,12H2,1H3,(H,23,25)
InChIKeyLESFJJYLYMPKNU-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.45
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide (PubChem CID 9090052) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
PubChem CID9090052
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H16ClFN2O3/c1-24(12-19(25)23-16-5-3-2-4-15(16)21)20(26)18-11-10-17(27-18)13-6-8-14(22)9-7-13/h2-11H,12H2,1H3,(H,23,25)
InChIKeyLESFJJYLYMPKNU-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 N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide (CID 9090052) is N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
The InChIKey is LESFJJYLYMPKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c1-24(12-19(25)23-16-5-3-2-4-15(16)21)20(26)18-11-10-17(27-18)13-6-8-14(22)9-7-13/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-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 N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 9090052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).