methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate

C23H20FNO4 — CID 90620312

IUPACmethyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO4/c1-28-23(27)20-13-18(29-21-9-5-4-8-19(21)24)14-25(20)22(26)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18,20H,13-14H2,1H3
InChIKeyYWDLXGMAFKHLOK-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.81
Rot. Bonds4

About methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate

methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 90620312) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID90620312
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Namemethyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO4/c1-28-23(27)20-13-18(29-21-9-5-4-8-19(21)24)14-25(20)22(26)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18,20H,13-14H2,1H3
InChIKeyYWDLXGMAFKHLOK-UHFFFAOYSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 90620084
methyl 1-(3-chlorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620290
methyl 1-(4-bromobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620295
methyl 4-(2-fluorophenoxy)-1-(quinoxaline-6-carbonyl)pyrrolidine-2-carboxylate
CID 90620301
methyl 4-(2-fluorophenoxy)-1-[3-(4-fluorophenoxy)benzoyl]pyrrolidine-2-carboxylate
CID 90620215
methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620074
methyl 1-(2,4-dimethoxybenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620311
methyl (2S,4S)-4-(2-fluorophenoxy)-1-(4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylate
CID 99875089
methyl 4-(2-fluorophenoxy)-1-[4-[(3-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxylate
CID 90620167
methyl 4-(2-fluorophenoxy)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
CID 90620343
1-O-tert-butyl 2-O-methyl (2S)-4-(2-fluorophenoxy)pyrrolidine-1,2-dicarboxylate
CID 163557195
methyl (2S,4R)-4-(2-fluorophenoxy)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 99875073

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate (CID 90620312) is methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is YWDLXGMAFKHLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-28-23(27)20-13-18(29-21-9-5-4-8-19(21)24)14-25(20)22(26)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18,20H,13-14H2,1H3.
What are the key properties of methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate?
methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 393.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 90620312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).