1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C20H16ClFN2O3 — CID 66661975

IUPAC1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(Cl)cc4F)CC3)C2)c2ccncc21
InChIInChI=1S/C20H16ClFN2O3/c21-12-1-2-15(16(22)9-12)19(4-5-19)18(26)24-8-6-20(11-24)14-3-7-23-10-13(14)17(25)27-20/h1-3,7,9-10H,4-6,8,11H2
InChIKeyHIBZRVULEREZQH-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.20
Rot. Bonds2

About 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661975) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661975
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC Name1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(Cl)cc4F)CC3)C2)c2ccncc21
InChIInChI=1S/C20H16ClFN2O3/c21-12-1-2-15(16(22)9-12)19(4-5-19)18(26)24-8-6-20(11-24)14-3-7-23-10-13(14)17(25)27-20/h1-3,7,9-10H,4-6,8,11H2
InChIKeyHIBZRVULEREZQH-UHFFFAOYSA-N
XLogP3.20
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661975) is 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(Cl)cc4F)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is HIBZRVULEREZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c21-12-1-2-15(16(22)9-12)19(4-5-19)18(26)24-8-6-20(11-24)14-3-7-23-10-13(14)17(25)27-20/h1-3,7,9-10H,4-6,8,11H2.
What are the key properties of 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 386.81 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4-chloro-2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).