1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone

C19H20FNO2 — CID 58315633

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C3CCNC3)cc2)c(F)c1
InChIInChI=1S/C19H20FNO2/c1-23-16-6-7-17(18(20)11-16)19(22)10-13-2-4-14(5-3-13)15-8-9-21-12-15/h2-7,11,15,21H,8-10,12H2,1H3
InChIKeyXQESBFNJRWFSRL-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone

1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone (PubChem CID 58315633) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
PubChem CID58315633
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C3CCNC3)cc2)c(F)c1
InChIInChI=1S/C19H20FNO2/c1-23-16-6-7-17(18(20)11-16)19(22)10-13-2-4-14(5-3-13)15-8-9-21-12-15/h2-7,11,15,21H,8-10,12H2,1H3
InChIKeyXQESBFNJRWFSRL-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
3-(4-methoxyphenyl)piperidine
CID 12937920
(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one
CID 58315799
2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone (CID 58315633) is 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(C3CCNC3)cc2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
The InChIKey is XQESBFNJRWFSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-23-16-6-7-17(18(20)11-16)19(22)10-13-2-4-14(5-3-13)15-8-9-21-12-15/h2-7,11,15,21H,8-10,12H2,1H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone has a molecular weight of 313.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone is sourced from PubChem (CID 58315633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).