3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one

C26H20N2O2 — CID 86169381

IUPAC3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(N(c2ccccc2)c2ccc(Nc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C26H20N2O2/c29-26-24-14-8-7-13-23(24)25(30-26)28(21-11-5-2-6-12-21)22-17-15-20(16-18-22)27-19-9-3-1-4-10-19/h1-18,25,27H
InChIKeyFDTWFWDRAQEKNB-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.44
Rot. Bonds5

About 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one

3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one (PubChem CID 86169381) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one
PubChem CID86169381
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(N(c2ccccc2)c2ccc(Nc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C26H20N2O2/c29-26-24-14-8-7-13-23(24)25(30-26)28(21-11-5-2-6-12-21)22-17-15-20(16-18-22)27-19-9-3-1-4-10-19/h1-18,25,27H
InChIKeyFDTWFWDRAQEKNB-UHFFFAOYSA-N
XLogP6.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-anilino-N-[4-(dimethylamino)phenyl]anilino)-3H-2-benzofuran-1-one
CID 139609048
3-(N-phenylanilino)-3H-2-benzofuran-1-one
CID 19245101
3-(N-[4-[4-(dimethylamino)-N-(3-oxo-1H-2-benzofuran-1-yl)anilino]phenyl]anilino)-3H-2-benzofuran-1-one
CID 139609056
3-(4-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)anilino)-3H-2-benzofuran-1-one
CID 86169380
3-[N-[2-(N-(3-oxo-1H-2-benzofuran-1-yl)anilino)ethyl]anilino]-3H-2-benzofuran-1-one
CID 154145889
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
(3S)-3-amino-3H-2-benzofuran-1-one
CID 163831945
3-(N-benzyl-4-methoxyanilino)-3H-2-benzofuran-1-one
CID 19245192
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N-(4-bromophenyl)-4-[dimethylsulfamoyl-(3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
CID 13489983
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987

Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one (CID 86169381) is 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one is O=C1OC(N(c2ccccc2)c2ccc(Nc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one?
The InChIKey is FDTWFWDRAQEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-26-24-14-8-7-13-23(24)25(30-26)28(21-11-5-2-6-12-21)22-17-15-20(16-18-22)27-19-9-3-1-4-10-19/h1-18,25,27H.
What are the key properties of 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one?
3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one has a molecular weight of 392.46 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-anilinophenyl)anilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 86169381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).