N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide

C14H17FN2O3 — CID 42303049

IUPACN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O3/c1-20-9-13(18)16-12-6-14(19)17(8-12)7-10-3-2-4-11(15)5-10/h2-5,12H,6-9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyIPFZDHCTMIOIRW-GFCCVEGCSA-N
MW280.30 g/mol
LogP0.69
Rot. Bonds5

About N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 42303049) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID42303049
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O3/c1-20-9-13(18)16-12-6-14(19)17(8-12)7-10-3-2-4-11(15)5-10/h2-5,12H,6-9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyIPFZDHCTMIOIRW-GFCCVEGCSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 45246389
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
2-[cyclopentyl(methyl)amino]-N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712178
2-[cyclopentyl(methyl)amino]-N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712179
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
CID 42240654
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 95726169
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 95707736
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide (CID 42303049) is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is IPFZDHCTMIOIRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-9-13(18)16-12-6-14(19)17(8-12)7-10-3-2-4-11(15)5-10/h2-5,12H,6-9H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 280.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 42303049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).