[2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C15H14ClNO4 — CID 2367920

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c(C)o1
InChIInChI=1S/C15H14ClNO4/c1-9-7-11(10(2)21-9)15(19)20-8-14(18)17-13-6-4-3-5-12(13)16/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyGFDLBKFELAZXCU-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.35
Rot. Bonds4

About [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2367920) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2367920
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c(C)o1
InChIInChI=1S/C15H14ClNO4/c1-9-7-11(10(2)21-9)15(19)20-8-14(18)17-13-6-4-3-5-12(13)16/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyGFDLBKFELAZXCU-UHFFFAOYSA-N
XLogP3.35
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2367920) is [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c(C)o1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is GFDLBKFELAZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-9-7-11(10(2)21-9)15(19)20-8-14(18)17-13-6-4-3-5-12(13)16/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 307.73 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2367920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).