N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H24FN3O3 — CID 42947590

IUPACN-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)c1
InChIInChI=1S/C22H24FN3O3/c1-13(2)15-5-4-6-18(9-15)26-12-16(10-21(26)28)22(29)25-20-11-17(24-14(3)27)7-8-19(20)23/h4-9,11,13,16H,10,12H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyXISMWJKMLLAKGA-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.90
Rot. Bonds5

About N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42947590) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID42947590
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)c1
InChIInChI=1S/C22H24FN3O3/c1-13(2)15-5-4-6-18(9-15)26-12-16(10-21(26)28)22(29)25-20-11-17(24-14(3)27)7-8-19(20)23/h4-9,11,13,16H,10,12H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyXISMWJKMLLAKGA-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 42947590) is N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(=O)Nc1ccc(F)c(NC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XISMWJKMLLAKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-13(2)15-5-4-6-18(9-15)26-12-16(10-21(26)28)22(29)25-20-11-17(24-14(3)27)7-8-19(20)23/h4-9,11,13,16H,10,12H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42947590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).