1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one

C23H17ClF2N2O3 — CID 54579080

IUPAC1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c3oc4cnccc4c23)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF2N2O3/c24-15-3-1-13(2-4-15)11-28-12-14(9-20(28)29)16-5-6-18(31-23(25)26)22-21(16)17-7-8-27-10-19(17)30-22/h1-8,10,14,23H,9,11-12H2
InChIKeyZICQUOWMTVGYKH-UHFFFAOYSA-N
MW442.85 g/mol
LogP5.75
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one

1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one (PubChem CID 54579080) has the molecular formula C23H17ClF2N2O3 and a molecular weight of 442.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one
PubChem CID54579080
Molecular FormulaC23H17ClF2N2O3
Molecular Weight442.85 g/mol
Exact Mass442.09
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c3oc4cnccc4c23)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF2N2O3/c24-15-3-1-13(2-4-15)11-28-12-14(9-20(28)29)16-5-6-18(31-23(25)26)22-21(16)17-7-8-27-10-19(17)30-22/h1-8,10,14,23H,9,11-12H2
InChIKeyZICQUOWMTVGYKH-UHFFFAOYSA-N
XLogP5.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-Fluoro-4-pyridin-3-ylphenyl)methyl]-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
CID 54576449
4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 46230824
N-(3,5-dichloropyrid-4-yl)-4-difluoromethoxy dibenzo[b,d]furan-1-carboxamide
CID 10432401
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide
CID 11330367
1-[(2-Fluoro-4-pyridin-4-ylphenyl)methyl]-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
CID 54576448
4-[4-(Difluoromethoxy)dibenzofuran-1-yl]-1-[(4-pyrazin-2-ylphenyl)methyl]pyrrolidin-2-one
CID 54576879
1-[(4-Chlorophenyl)methyl]-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one
CID 54577085
4-[6-(Difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-pentylpyrrolidin-2-one
CID 54577086
1-Butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one
CID 54577087
4-[6-(Difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one
CID 54577088
4-[6-(Difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 54577089
1-[(2-Fluoro-4-pyridin-3-ylphenyl)methyl]-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one
CID 54577091

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one (CID 54579080) is 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one is O=C1CC(c2ccc(OC(F)F)c3oc4cnccc4c23)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one?
The InChIKey is ZICQUOWMTVGYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N2O3/c24-15-3-1-13(2-4-15)11-28-12-14(9-20(28)29)16-5-6-18(31-23(25)26)22-21(16)17-7-8-27-10-19(17)30-22/h1-8,10,14,23H,9,11-12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one?
1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one has a molecular weight of 442.85 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 54579080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).