3-(N-phenylanilino)-3H-2-benzofuran-1-one

C20H15NO2 — CID 19245101

IUPAC3-(N-phenylanilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO2/c22-20-18-14-8-7-13-17(18)19(23-20)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKeyIJDRTUGMWBHNGX-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.69
Rot. Bonds3

About 3-(N-phenylanilino)-3H-2-benzofuran-1-one

3-(N-phenylanilino)-3H-2-benzofuran-1-one (PubChem CID 19245101) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(N-phenylanilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(N-phenylanilino)-3H-2-benzofuran-1-one
PubChem CID19245101
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name3-(N-phenylanilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO2/c22-20-18-14-8-7-13-17(18)19(23-20)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKeyIJDRTUGMWBHNGX-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(N-phenylanilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(N-phenylanilino)-3H-2-benzofuran-1-one (CID 19245101) is 3-(N-phenylanilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(N-phenylanilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(N-phenylanilino)-3H-2-benzofuran-1-one is O=C1OC(N(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(N-phenylanilino)-3H-2-benzofuran-1-one?
The InChIKey is IJDRTUGMWBHNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20-18-14-8-7-13-17(18)19(23-20)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H.
What are the key properties of 3-(N-phenylanilino)-3H-2-benzofuran-1-one?
3-(N-phenylanilino)-3H-2-benzofuran-1-one has a molecular weight of 301.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-phenylanilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 19245101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).