N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide

C16H21FN2O2 — CID 174528371

IUPACN-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N(F)C1CC(c2ccccc2)N(CC(C)C)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11(2)10-18-14(13-7-5-4-6-8-13)9-15(16(18)21)19(17)12(3)20/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyHKQYSWUGLXTQBE-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.72
Rot. Bonds4

About N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide

N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide (PubChem CID 174528371) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide
PubChem CID174528371
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N(F)C1CC(c2ccccc2)N(CC(C)C)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11(2)10-18-14(13-7-5-4-6-8-13)9-15(16(18)21)19(17)12(3)20/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyHKQYSWUGLXTQBE-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide (CID 174528371) is N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide is CC(=O)N(F)C1CC(c2ccccc2)N(CC(C)C)C1=O.
What is the InChIKey of N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is HKQYSWUGLXTQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)10-18-14(13-7-5-4-6-8-13)9-15(16(18)21)19(17)12(3)20/h4-8,11,14-15H,9-10H2,1-3H3.
What are the key properties of N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide?
N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 292.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[1-(2-methylpropyl)-2-oxo-5-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 174528371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).