3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

C17H17FN2O3 — CID 46214032

IUPAC3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C17H17FN2O3/c18-12-1-3-13(4-2-12)19-17(23)20-8-7-11(10-20)15-6-5-14(21)9-16(15)22/h1-6,9,11,21-22H,7-8,10H2,(H,19,23)
InChIKeyFQBMGTASTPTEJC-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.26
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 46214032) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID46214032
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C17H17FN2O3/c18-12-1-3-13(4-2-12)19-17(23)20-8-7-11(10-20)15-6-5-14(21)9-16(15)22/h1-6,9,11,21-22H,7-8,10H2,(H,19,23)
InChIKeyFQBMGTASTPTEJC-UHFFFAOYSA-N
XLogP3.26
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 46214032) is 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(c2ccc(O)cc2O)C1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is FQBMGTASTPTEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-12-1-3-13(4-2-12)19-17(23)20-8-7-11(10-20)15-6-5-14(21)9-16(15)22/h1-6,9,11,21-22H,7-8,10H2,(H,19,23).
What are the key properties of 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 46214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).