3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one

C19H12ClNO2 — CID 56669314

IUPAC3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(Cl)cc2)(c2cccnc2)c2ccccc21
InChIInChI=1S/C19H12ClNO2/c20-15-9-7-13(8-10-15)19(14-4-3-11-21-12-14)17-6-2-1-5-16(17)18(22)23-19/h1-12H
InChIKeyLUJVJYSMHUNKIL-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.20
Rot. Bonds2

About 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one

3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one (PubChem CID 56669314) has the molecular formula C19H12ClNO2 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one
PubChem CID56669314
Molecular FormulaC19H12ClNO2
Molecular Weight321.76 g/mol
Exact Mass321.06
IUPAC Name3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(Cl)cc2)(c2cccnc2)c2ccccc21
InChIInChI=1S/C19H12ClNO2/c20-15-9-7-13(8-10-15)19(14-4-3-11-21-12-14)17-6-2-1-5-16(17)18(22)23-19/h1-12H
InChIKeyLUJVJYSMHUNKIL-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one (CID 56669314) is 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one is O=C1OC(c2ccc(Cl)cc2)(c2cccnc2)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one?
The InChIKey is LUJVJYSMHUNKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2/c20-15-9-7-13(8-10-15)19(14-4-3-11-21-12-14)17-6-2-1-5-16(17)18(22)23-19/h1-12H.
What are the key properties of 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one?
3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one has a molecular weight of 321.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-pyridin-3-yl-2-benzofuran-1-one is sourced from PubChem (CID 56669314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).