N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide

C19H19FN2O3 — CID 95720923

IUPACN-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
SMILESO=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1ccccc1O
InChIInChI=1S/C19H19FN2O3/c20-14-7-5-13(6-8-14)9-10-22-12-15(11-18(22)24)21-19(25)16-3-1-2-4-17(16)23/h1-8,15,23H,9-12H2,(H,21,25)/t15-/m0/s1
InChIKeyUAGZWEIAMOJVKQ-HNNXBMFYSA-N
MW342.37 g/mol
LogP2.10
Rot. Bonds5

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

N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide (PubChem CID 95720923) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
PubChem CID95720923
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
SMILESO=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1ccccc1O
InChIInChI=1S/C19H19FN2O3/c20-14-7-5-13(6-8-14)9-10-22-12-15(11-18(22)24)21-19(25)16-3-1-2-4-17(16)23/h1-8,15,23H,9-12H2,(H,21,25)/t15-/m0/s1
InChIKeyUAGZWEIAMOJVKQ-HNNXBMFYSA-N
XLogP2.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
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
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
CID 42212899
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56911030
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42519689
2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 56900894

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide (CID 95720923) is N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide is O=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1ccccc1O.
What is the InChIKey of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide?
The InChIKey is UAGZWEIAMOJVKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-14-7-5-13(6-8-14)9-10-22-12-15(11-18(22)24)21-19(25)16-3-1-2-4-17(16)23/h1-8,15,23H,9-12H2,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide?
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 95720923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).