(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone

C18H17F2NO4 — CID 110147202

IUPAC(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C18H17F2NO4/c1-24-16-6-5-12(20)8-14(16)18(23)21-9-15(22)17(10-21)25-13-4-2-3-11(19)7-13/h2-8,15,17,22H,9-10H2,1H3/t15-,17-/m1/s1
InChIKeyHMKWAWVRZGAJQW-NVXWUHKLSA-N
MW349.33 g/mol
LogP2.24
Rot. Bonds4

About (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone

(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 110147202) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID110147202
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C18H17F2NO4/c1-24-16-6-5-12(20)8-14(16)18(23)21-9-15(22)17(10-21)25-13-4-2-3-11(19)7-13/h2-8,15,17,22H,9-10H2,1H3/t15-,17-/m1/s1
InChIKeyHMKWAWVRZGAJQW-NVXWUHKLSA-N
XLogP2.24
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146828
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110146581
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110147125
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
1-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110804297
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110146883
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
(5-fluoro-2-methoxyphenyl)-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 90648087
(5-fluoro-2-methoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31305536

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone (CID 110147202) is (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone is COc1ccc(F)cc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is HMKWAWVRZGAJQW-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H17F2NO4/c1-24-16-6-5-12(20)8-14(16)18(23)21-9-15(22)17(10-21)25-13-4-2-3-11(19)7-13/h2-8,15,17,22H,9-10H2,1H3/t15-,17-/m1/s1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 349.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 110147202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).