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

C15H17FN2O3 — CID 95729706

IUPACN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
SMILESCCC(=O)C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H17FN2O3/c1-2-13(19)15(21)17-12-7-14(20)18(9-12)8-10-4-3-5-11(16)6-10/h3-6,12H,2,7-9H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyLARYBFZRPCOACG-GFCCVEGCSA-N
MW292.31 g/mol
LogP1.02
Rot. Bonds5

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

N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide (PubChem CID 95729706) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
PubChem CID95729706
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
SMILESCCC(=O)C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H17FN2O3/c1-2-13(19)15(21)17-12-7-14(20)18(9-12)8-10-4-3-5-11(16)6-10/h3-6,12H,2,7-9H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyLARYBFZRPCOACG-GFCCVEGCSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
CID 42240654
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-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 45246389
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide?
The IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide (CID 95729706) is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide.
What is the SMILES notation for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide?
The canonical SMILES for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide is CCC(=O)C(=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-oxobutanamide?
The InChIKey is LARYBFZRPCOACG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-13(19)15(21)17-12-7-14(20)18(9-12)8-10-4-3-5-11(16)6-10/h3-6,12H,2,7-9H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide?
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide has a molecular weight of 292.31 g/mol, XLogP of 1.02, 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-oxobutanamide is sourced from PubChem (CID 95729706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).