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

C18H16F2N2O3 — CID 54577088

IUPAC4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O
InChIInChI=1S/C18H16F2N2O3/c1-2-22-9-10(7-15(22)23)11-3-4-14(25-18(19)20)17-16(11)12-8-21-6-5-13(12)24-17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyNPWVNSRRIZVQNK-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.92
Rot. Bonds4

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

4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one (PubChem CID 54577088) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one
PubChem CID54577088
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O
InChIInChI=1S/C18H16F2N2O3/c1-2-22-9-10(7-15(22)23)11-3-4-14(25-18(19)20)17-16(11)12-8-21-6-5-13(12)24-17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyNPWVNSRRIZVQNK-UHFFFAOYSA-N
XLogP3.92
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one (CID 54577088) is 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one is CCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O.
What is the InChIKey of 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one?
The InChIKey is NPWVNSRRIZVQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-2-22-9-10(7-15(22)23)11-3-4-14(25-18(19)20)17-16(11)12-8-21-6-5-13(12)24-17/h3-6,8,10,18H,2,7,9H2,1H3.
What are the key properties of 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one?
4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one has a molecular weight of 346.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 54577088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).