3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride

C20H23ClFN3O2 — CID 119951523

IUPAC3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCN(c2ccccc2F)C1=O.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-23(19(25)13-16(22)14-7-3-2-4-8-14)18-11-12-24(20(18)26)17-10-6-5-9-15(17)21;/h2-10,16,18H,11-13,22H2,1H3;1H
InChIKeyJCTXBGAXBWHJMA-UHFFFAOYSA-N
MW391.87 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119951523) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119951523
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCN(c2ccccc2F)C1=O.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-23(19(25)13-16(22)14-7-3-2-4-8-14)18-11-12-24(20(18)26)17-10-6-5-9-15(17)21;/h2-10,16,18H,11-13,22H2,1H3;1H
InChIKeyJCTXBGAXBWHJMA-UHFFFAOYSA-N
XLogP2.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951461
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3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
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3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
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2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
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5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
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3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
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3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride (CID 119951523) is 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride is CN(C(=O)CC(N)c1ccccc1)C1CCN(c2ccccc2F)C1=O.Cl.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is JCTXBGAXBWHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c1-23(19(25)13-16(22)14-7-3-2-4-8-14)18-11-12-24(20(18)26)17-10-6-5-9-15(17)21;/h2-10,16,18H,11-13,22H2,1H3;1H.
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).