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

C19H18F2N2O3 — CID 67452382

IUPAC4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O
InChIInChI=1S/C19H18F2N2O3/c1-2-7-23-10-11(8-16(23)24)12-3-4-15(26-19(20)21)18-17(12)13-9-22-6-5-14(13)25-18/h3-6,9,11,19H,2,7-8,10H2,1H3
InChIKeyHEXZMIHLLYKSSN-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.31
Rot. Bonds5

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

4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one (PubChem CID 67452382) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one
PubChem CID67452382
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O
InChIInChI=1S/C19H18F2N2O3/c1-2-7-23-10-11(8-16(23)24)12-3-4-15(26-19(20)21)18-17(12)13-9-22-6-5-14(13)25-18/h3-6,9,11,19H,2,7-8,10H2,1H3
InChIKeyHEXZMIHLLYKSSN-UHFFFAOYSA-N
XLogP4.31
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one (CID 67452382) is 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one is CCCN1CC(c2ccc(OC(F)F)c3oc4ccncc4c23)CC1=O.
What is the InChIKey of 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one?
The InChIKey is HEXZMIHLLYKSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-2-7-23-10-11(8-16(23)24)12-3-4-15(26-19(20)21)18-17(12)13-9-22-6-5-14(13)25-18/h3-6,9,11,19H,2,7-8,10H2,1H3.
What are the key properties of 4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one?
4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one has a molecular weight of 360.36 g/mol, XLogP of 4.31, 5 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-propylpyrrolidin-2-one is sourced from PubChem (CID 67452382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).