1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one

C20H20F2N2O3 — CID 54577087

IUPAC1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O
InChIInChI=1S/C20H20F2N2O3/c1-2-3-8-24-11-12(9-17(24)25)13-4-5-16(27-20(21)22)19-18(13)14-10-23-7-6-15(14)26-19/h4-7,10,12,20H,2-3,8-9,11H2,1H3
InChIKeyYBUFNFAQPSCYDD-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.70
Rot. Bonds6

About 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one

1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one (PubChem CID 54577087) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one
PubChem CID54577087
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O
InChIInChI=1S/C20H20F2N2O3/c1-2-3-8-24-11-12(9-17(24)25)13-4-5-16(27-20(21)22)19-18(13)14-10-23-7-6-15(14)26-19/h4-7,10,12,20H,2-3,8-9,11H2,1H3
InChIKeyYBUFNFAQPSCYDD-UHFFFAOYSA-N
XLogP4.70
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one with MolForge

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Related Compounds

Revamilast
CID 11546664
2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide
CID 15887290
1-[(2-Fluoro-4-pyridin-3-ylphenyl)methyl]-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
CID 54576449
4-(4-Methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one
CID 54576665
1-(furan-2-ylmethyl)-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 2951279
1-Benzyl-4-(7-methoxy-1-benzofuran-2-yl)pyridin-1-ium bromide
CID 118730829
1-[(3-Fluorophenyl)methyl]-4-(7-methoxy-1-benzofuran-2-yl)pyridin-1-ium bromide
CID 118730831
1-[3-(Diethylamino)propyl]-3-hydroxy-4-[(7-methoxybenzo[d]furan-2-yl)carbonyl]-5-(4-pyridyl)-3-pyrrolin-2-one
CID 663903
6,7-dimethoxy-2-[(7-methoxy-2-pyridin-3-yl-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 44438149
6,7-dimethoxy-2-[(7-methoxy-2-pyridin-4-yl-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 44438150
1-(3-(dimethylamino)propyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
CID 663495
(7-Methoxybenzofuran-2-yl)(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 71798699

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one (CID 54577087) is 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one is CCCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O.
What is the InChIKey of 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one?
The InChIKey is YBUFNFAQPSCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-2-3-8-24-11-12(9-17(24)25)13-4-5-16(27-20(21)22)19-18(13)14-10-23-7-6-15(14)26-19/h4-7,10,12,20H,2-3,8-9,11H2,1H3.
What are the key properties of 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one?
1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one has a molecular weight of 374.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 54577087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).