methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate

C20H20FNO5 — CID 90620084

IUPACmethyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H20FNO5/c1-25-14-9-7-13(8-10-14)19(23)22-12-15(11-17(22)20(24)26-2)27-18-6-4-3-5-16(18)21/h3-10,15,17H,11-12H2,1-2H3
InChIKeyBZWFRAHLJCDIDI-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.67
Rot. Bonds5

About methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate

methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 90620084) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID90620084
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Namemethyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H20FNO5/c1-25-14-9-7-13(8-10-14)19(23)22-12-15(11-17(22)20(24)26-2)27-18-6-4-3-5-16(18)21/h3-10,15,17H,11-12H2,1-2H3
InChIKeyBZWFRAHLJCDIDI-UHFFFAOYSA-N
XLogP2.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 90620084) is methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is BZWFRAHLJCDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-25-14-9-7-13(8-10-14)19(23)22-12-15(11-17(22)20(24)26-2)27-18-6-4-3-5-16(18)21/h3-10,15,17H,11-12H2,1-2H3.
What are the key properties of methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 373.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 90620084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).