[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

C21H15NO4 — CID 7193993

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1cccc2ccccc12
InChIInChI=1S/C21H15NO4/c23-20(22-17-10-5-8-14-6-1-3-9-16(14)17)13-25-21(24)19-12-15-7-2-4-11-18(15)26-19/h1-12H,13H2,(H,22,23)
InChIKeySRUQXNSSJIIRKZ-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.38
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193993) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7193993
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1cccc2ccccc12
InChIInChI=1S/C21H15NO4/c23-20(22-17-10-5-8-14-6-1-3-9-16(14)17)13-25-21(24)19-12-15-7-2-4-11-18(15)26-19/h1-12H,13H2,(H,22,23)
InChIKeySRUQXNSSJIIRKZ-UHFFFAOYSA-N
XLogP4.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193648
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194054
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193998
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193712
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 16503015
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-benzofuran-2-carboxylate
CID 16502963
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7284197
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7193993) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is SRUQXNSSJIIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-20(22-17-10-5-8-14-6-1-3-9-16(14)17)13-25-21(24)19-12-15-7-2-4-11-18(15)26-19/h1-12H,13H2,(H,22,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 345.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).