[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone

C16H16FNO3 — CID 72864790

IUPAC[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C16H16FNO3/c1-20-13-5-4-11(17)10-12(13)14-6-7-15(21-14)16(19)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3
InChIKeyCSOPSVBAKRCVPK-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.33
Rot. Bonds3

About [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone

[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72864790) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID72864790
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C16H16FNO3/c1-20-13-5-4-11(17)10-12(13)14-6-7-15(21-14)16(19)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3
InChIKeyCSOPSVBAKRCVPK-UHFFFAOYSA-N
XLogP3.33
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 8530428
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 50849651
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 22733963

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone (CID 72864790) is [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc(F)cc1-c1ccc(C(=O)N2CCCC2)o1.
What is the InChIKey of [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CSOPSVBAKRCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-13-5-4-11(17)10-12(13)14-6-7-15(21-14)16(19)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 289.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72864790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).