1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide

C17H20FN3O3 — CID 42212899

IUPAC1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H20FN3O3/c18-12-3-1-11(2-4-12)5-8-21-10-13(9-14(21)22)20-16(24)17(6-7-17)15(19)23/h1-4,13H,5-10H2,(H2,19,23)(H,20,24)/t13-/m1/s1
InChIKeyNGPNOLSDLLFDOZ-CYBMUJFWSA-N
MW333.36 g/mol
LogP0.35
Rot. Bonds6

About 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide

1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 42212899) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
PubChem CID42212899
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H20FN3O3/c18-12-3-1-11(2-4-12)5-8-21-10-13(9-14(21)22)20-16(24)17(6-7-17)15(19)23/h1-4,13H,5-10H2,(H2,19,23)(H,20,24)/t13-/m1/s1
InChIKeyNGPNOLSDLLFDOZ-CYBMUJFWSA-N
XLogP0.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
CID 25449003
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56911030
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 56906685

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide (CID 42212899) is 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is NGPNOLSDLLFDOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-12-3-1-11(2-4-12)5-8-21-10-13(9-14(21)22)20-16(24)17(6-7-17)15(19)23/h1-4,13H,5-10H2,(H2,19,23)(H,20,24)/t13-/m1/s1.
What are the key properties of 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide?
1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 333.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 42212899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).