(2-anilino-5-phenylfuran-3-yl)-phenylmethanone

C23H17NO2 — CID 132553624

IUPAC(2-anilino-5-phenylfuran-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccc2)oc1Nc1ccccc1
InChIInChI=1S/C23H17NO2/c25-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)26-23(20)24-19-14-8-3-9-15-19/h1-16,24H
InChIKeyGFHQRSVDCPSBKP-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.92
Rot. Bonds5

About (2-anilino-5-phenylfuran-3-yl)-phenylmethanone

(2-anilino-5-phenylfuran-3-yl)-phenylmethanone (PubChem CID 132553624) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2-anilino-5-phenylfuran-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-anilino-5-phenylfuran-3-yl)-phenylmethanone
PubChem CID132553624
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(2-anilino-5-phenylfuran-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccc2)oc1Nc1ccccc1
InChIInChI=1S/C23H17NO2/c25-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)26-23(20)24-19-14-8-3-9-15-19/h1-16,24H
InChIKeyGFHQRSVDCPSBKP-UHFFFAOYSA-N
XLogP5.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-5-phenylfuran-3-yl)-phenylmethanone?
The IUPAC name of (2-anilino-5-phenylfuran-3-yl)-phenylmethanone (CID 132553624) is (2-anilino-5-phenylfuran-3-yl)-phenylmethanone.
What is the SMILES notation for (2-anilino-5-phenylfuran-3-yl)-phenylmethanone?
The canonical SMILES for (2-anilino-5-phenylfuran-3-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(-c2ccccc2)oc1Nc1ccccc1.
What is the InChIKey of (2-anilino-5-phenylfuran-3-yl)-phenylmethanone?
The InChIKey is GFHQRSVDCPSBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)26-23(20)24-19-14-8-3-9-15-19/h1-16,24H.
What are the key properties of (2-anilino-5-phenylfuran-3-yl)-phenylmethanone?
(2-anilino-5-phenylfuran-3-yl)-phenylmethanone has a molecular weight of 339.39 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-5-phenylfuran-3-yl)-phenylmethanone is sourced from PubChem (CID 132553624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).