methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate

C24H22FNO5 — CID 90620242

IUPACmethyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C24H22FNO5/c1-29-24(28)21-13-19(31-22-9-5-4-8-20(22)25)14-26(21)23(27)15-30-18-11-10-16-6-2-3-7-17(16)12-18/h2-12,19,21H,13-15H2,1H3
InChIKeyZIVCCSKGFAFIEM-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.58
Rot. Bonds6

About methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate

methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate (PubChem CID 90620242) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate
PubChem CID90620242
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Namemethyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C24H22FNO5/c1-29-24(28)21-13-19(31-22-9-5-4-8-20(22)25)14-26(21)23(27)15-30-18-11-10-16-6-2-3-7-17(16)12-18/h2-12,19,21H,13-15H2,1H3
InChIKeyZIVCCSKGFAFIEM-UHFFFAOYSA-N
XLogP3.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.58
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-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate (CID 90620242) is methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1C(=O)COc1ccc2ccccc2c1.
What is the InChIKey of methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate?
The InChIKey is ZIVCCSKGFAFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-29-24(28)21-13-19(31-22-9-5-4-8-20(22)25)14-26(21)23(27)15-30-18-11-10-16-6-2-3-7-17(16)12-18/h2-12,19,21H,13-15H2,1H3.
What are the key properties of methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate?
methyl 4-(2-fluorophenoxy)-1-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate has a molecular weight of 423.44 g/mol, XLogP of 3.58, 6 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-(2-naphthalen-2-yloxyacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 90620242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).