5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one

C20H13F2NO2 — CID 4253035

IUPAC5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(-c2cc3ccccc3o2)cn1Cc1ccc(F)cc1F
InChIInChI=1S/C20H13F2NO2/c21-16-7-5-14(17(22)10-16)11-23-12-15(6-8-20(23)24)19-9-13-3-1-2-4-18(13)25-19/h1-10,12H,11H2
InChIKeyMRIHTNBBGHKTEL-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.59
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one

5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one (PubChem CID 4253035) has the molecular formula C20H13F2NO2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one
PubChem CID4253035
Molecular FormulaC20H13F2NO2
Molecular Weight337.33 g/mol
Exact Mass337.09
IUPAC Name5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(-c2cc3ccccc3o2)cn1Cc1ccc(F)cc1F
InChIInChI=1S/C20H13F2NO2/c21-16-7-5-14(17(22)10-16)11-23-12-15(6-8-20(23)24)19-9-13-3-1-2-4-18(13)25-19/h1-10,12H,11H2
InChIKeyMRIHTNBBGHKTEL-UHFFFAOYSA-N
XLogP4.59
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one (CID 4253035) is 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one is O=c1ccc(-c2cc3ccccc3o2)cn1Cc1ccc(F)cc1F.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one?
The InChIKey is MRIHTNBBGHKTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO2/c21-16-7-5-14(17(22)10-16)11-23-12-15(6-8-20(23)24)19-9-13-3-1-2-4-18(13)25-19/h1-10,12H,11H2.
What are the key properties of 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one?
5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one has a molecular weight of 337.33 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 4253035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).