5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one

C17H14FNO2 — CID 174287179

IUPAC5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one
SMILESO=C(c1ccccc1)C1CC(F)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14FNO2/c18-14-11-15(16(20)12-7-3-1-4-8-12)19(17(14)21)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyGVZPTLFVHSHBJC-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.01
Rot. Bonds3

About 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one

5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one (PubChem CID 174287179) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one
PubChem CID174287179
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one
SMILESO=C(c1ccccc1)C1CC(F)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14FNO2/c18-14-11-15(16(20)12-7-3-1-4-8-12)19(17(14)21)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyGVZPTLFVHSHBJC-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one?
The IUPAC name of 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one (CID 174287179) is 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one?
The canonical SMILES for 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one is O=C(c1ccccc1)C1CC(F)C(=O)N1c1ccccc1.
What is the InChIKey of 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one?
The InChIKey is GVZPTLFVHSHBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-14-11-15(16(20)12-7-3-1-4-8-12)19(17(14)21)13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one?
5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one has a molecular weight of 283.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 174287179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).