2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

C20H22FNO3 — CID 51318503

IUPAC2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1cccc(C2CCCN2C(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FNO3/c1-14(25-17-10-8-16(21)9-11-17)20(23)22-12-4-7-19(22)15-5-3-6-18(13-15)24-2/h3,5-6,8-11,13-14,19H,4,7,12H2,1-2H3
InChIKeyAJFBORBEVCBMMZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 51318503) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID51318503
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1cccc(C2CCCN2C(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FNO3/c1-14(25-17-10-8-16(21)9-11-17)20(23)22-12-4-7-19(22)15-5-3-6-18(13-15)24-2/h3,5-6,8-11,13-14,19H,4,7,12H2,1-2H3
InChIKeyAJFBORBEVCBMMZ-UHFFFAOYSA-N
XLogP3.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one (CID 51318503) is 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one is COc1cccc(C2CCCN2C(=O)C(C)Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is AJFBORBEVCBMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-14(25-17-10-8-16(21)9-11-17)20(23)22-12-4-7-19(22)15-5-3-6-18(13-15)24-2/h3,5-6,8-11,13-14,19H,4,7,12H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 343.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 51318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).