N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide

C16H22FN3O2 — CID 4881886

IUPACN-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
SMILESCC(C(=O)N1CCCC1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H22FN3O2/c1-12(16(22)20-8-3-4-9-20)19(2)11-15(21)18-14-7-5-6-13(17)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,18,21)
InChIKeyVVDIQHPUSSWTEA-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.71
Rot. Bonds5

About N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide

N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide (PubChem CID 4881886) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
PubChem CID4881886
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
SMILESCC(C(=O)N1CCCC1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H22FN3O2/c1-12(16(22)20-8-3-4-9-20)19(2)11-15(21)18-14-7-5-6-13(17)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,18,21)
InChIKeyVVDIQHPUSSWTEA-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide (CID 4881886) is N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide is CC(C(=O)N1CCCC1)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide?
The InChIKey is VVDIQHPUSSWTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-12(16(22)20-8-3-4-9-20)19(2)11-15(21)18-14-7-5-6-13(17)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide has a molecular weight of 307.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide is sourced from PubChem (CID 4881886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).