[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate

C15H14ClNO5 — CID 2575604

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)o1
InChIInChI=1S/C15H14ClNO5/c1-9-3-5-13(22-9)15(19)21-8-14(18)17-11-7-10(16)4-6-12(11)20-2/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyKJUHJDLIMALSNJ-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.05
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate (PubChem CID 2575604) has the molecular formula C15H14ClNO5 and a molecular weight of 323.73 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
PubChem CID2575604
Molecular FormulaC15H14ClNO5
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)o1
InChIInChI=1S/C15H14ClNO5/c1-9-3-5-13(22-9)15(19)21-8-14(18)17-11-7-10(16)4-6-12(11)20-2/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyKJUHJDLIMALSNJ-UHFFFAOYSA-N
XLogP3.05
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate (CID 2575604) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)o1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The InChIKey is KJUHJDLIMALSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5/c1-9-3-5-13(22-9)15(19)21-8-14(18)17-11-7-10(16)4-6-12(11)20-2/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate has a molecular weight of 323.73 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 2575604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).