N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C20H21FN2O3 — CID 2947129

IUPACN-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C20H21FN2O3/c1-13(2)26-16-9-7-15(8-10-16)23-12-14(11-19(23)24)20(25)22-18-6-4-3-5-17(18)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)
InChIKeyGUCTWRBVXWGOLT-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.60
Rot. Bonds5

About N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 2947129) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID2947129
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C20H21FN2O3/c1-13(2)26-16-9-7-15(8-10-16)23-12-14(11-19(23)24)20(25)22-18-6-4-3-5-17(18)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)
InChIKeyGUCTWRBVXWGOLT-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 2947129) is N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CC(C)Oc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GUCTWRBVXWGOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13(2)26-16-9-7-15(8-10-16)23-12-14(11-19(23)24)20(25)22-18-6-4-3-5-17(18)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2947129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).