(3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone

C22H19NO2 — CID 23910836

IUPAC(3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2Oc3ccccc3C2Nc2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-15-11-13-16(14-12-15)21(24)22-20(23-17-7-3-2-4-8-17)18-9-5-6-10-19(18)25-22/h2-14,20,22-23H,1H3
InChIKeyJKGCYZHHSBTOOZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.79
Rot. Bonds4

About (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone

(3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone (PubChem CID 23910836) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone
PubChem CID23910836
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2Oc3ccccc3C2Nc2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-15-11-13-16(14-12-15)21(24)22-20(23-17-7-3-2-4-8-17)18-9-5-6-10-19(18)25-22/h2-14,20,22-23H,1H3
InChIKeyJKGCYZHHSBTOOZ-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone (CID 23910836) is (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2Oc3ccccc3C2Nc2ccccc2)cc1.
What is the InChIKey of (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The InChIKey is JKGCYZHHSBTOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-15-11-13-16(14-12-15)21(24)22-20(23-17-7-3-2-4-8-17)18-9-5-6-10-19(18)25-22/h2-14,20,22-23H,1H3.
What are the key properties of (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
(3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone has a molecular weight of 329.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-2,3-dihydro-1-benzofuran-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 23910836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).