N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide

C17H23FN2O2 — CID 45181468

IUPACN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-17(2,3)16(22)19-14-10-15(21)20(11-14)9-8-12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,19,22)
InChIKeyBQOLNYBQYHKYCF-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.13
Rot. Bonds4

About N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 45181468) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
PubChem CID45181468
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-17(2,3)16(22)19-14-10-15(21)20(11-14)9-8-12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,19,22)
InChIKeyBQOLNYBQYHKYCF-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
CID 42212899
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
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-piperidin-1-ylacetamide
CID 25449003
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
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-[(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]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 98771605
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 45181468) is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is BQOLNYBQYHKYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-17(2,3)16(22)19-14-10-15(21)20(11-14)9-8-12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 306.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 45181468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).