3-(4-ethylanilino)-3H-2-benzofuran-1-one

C16H15NO2 — CID 3152809

IUPAC3-(4-ethylanilino)-3H-2-benzofuran-1-one
SMILESCCc1ccc(NC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C16H15NO2/c1-2-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)16(18)19-15/h3-10,15,17H,2H2,1H3
InChIKeyVVOVRMSBPPBVBF-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.53
Rot. Bonds3

About 3-(4-ethylanilino)-3H-2-benzofuran-1-one

3-(4-ethylanilino)-3H-2-benzofuran-1-one (PubChem CID 3152809) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(4-ethylanilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-ethylanilino)-3H-2-benzofuran-1-one
PubChem CID3152809
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(4-ethylanilino)-3H-2-benzofuran-1-one
SMILESCCc1ccc(NC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C16H15NO2/c1-2-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)16(18)19-15/h3-10,15,17H,2H2,1H3
InChIKeyVVOVRMSBPPBVBF-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-ethylanilino)-3H-2-benzofuran-1-one (CID 3152809) is 3-(4-ethylanilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-ethylanilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-ethylanilino)-3H-2-benzofuran-1-one is CCc1ccc(NC2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-ethylanilino)-3H-2-benzofuran-1-one?
The InChIKey is VVOVRMSBPPBVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)16(18)19-15/h3-10,15,17H,2H2,1H3.
What are the key properties of 3-(4-ethylanilino)-3H-2-benzofuran-1-one?
3-(4-ethylanilino)-3H-2-benzofuran-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).