[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate

C17H12ClNO4 — CID 16503047

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12ClNO4/c18-12-5-3-6-13(9-12)19-16(20)10-22-17(21)15-8-11-4-1-2-7-14(11)23-15/h1-9H,10H2,(H,19,20)
InChIKeyHTLKGFGKORDCLJ-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.88
Rot. Bonds4

About [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 16503047) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID16503047
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12ClNO4/c18-12-5-3-6-13(9-12)19-16(20)10-22-17(21)15-8-11-4-1-2-7-14(11)23-15/h1-9H,10H2,(H,19,20)
InChIKeyHTLKGFGKORDCLJ-UHFFFAOYSA-N
XLogP3.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7284197
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193975
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7210519
[2-(4-nitroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194105
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-benzofuran-2-carboxylate
CID 16502963
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998324
[2-(3-chloroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2619970
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193712
[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193648

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 16503047) is [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is HTLKGFGKORDCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c18-12-5-3-6-13(9-12)19-16(20)10-22-17(21)15-8-11-4-1-2-7-14(11)23-15/h1-9H,10H2,(H,19,20).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 329.74 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 16503047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).