N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

C21H19ClN2O4 — CID 5069792

IUPACN-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O4/c1-2-27-17-7-4-3-6-16(17)23-20(24-21(26)18-8-5-13-28-18)19(25)14-9-11-15(22)12-10-14/h3-13,20,23H,2H2,1H3,(H,24,26)
InChIKeyJGTUXDRIVZHXLK-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.38
Rot. Bonds8

About N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 5069792) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID5069792
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC NameN-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O4/c1-2-27-17-7-4-3-6-16(17)23-20(24-21(26)18-8-5-13-28-18)19(25)14-9-11-15(22)12-10-14/h3-13,20,23H,2H2,1H3,(H,24,26)
InChIKeyJGTUXDRIVZHXLK-UHFFFAOYSA-N
XLogP4.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 5069792) is N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is CCOc1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is JGTUXDRIVZHXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-2-27-17-7-4-3-6-16(17)23-20(24-21(26)18-8-5-13-28-18)19(25)14-9-11-15(22)12-10-14/h3-13,20,23H,2H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 5069792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).