3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide

C20H22FN3O2 — CID 120610765

IUPAC3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ccccc1N)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C20H22FN3O2/c1-23(19(25)11-10-14-6-2-4-8-16(14)22)18-12-13-24(20(18)26)17-9-5-3-7-15(17)21/h2-9,18H,10-13,22H2,1H3
InChIKeyGGCRPDOMVSNAOE-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.60
Rot. Bonds5

About 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide

3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide (PubChem CID 120610765) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
PubChem CID120610765
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ccccc1N)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C20H22FN3O2/c1-23(19(25)11-10-14-6-2-4-8-16(14)22)18-12-13-24(20(18)26)17-9-5-3-7-15(17)21/h2-9,18H,10-13,22H2,1H3
InChIKeyGGCRPDOMVSNAOE-UHFFFAOYSA-N
XLogP2.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785245
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610711
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
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
CID 119785221
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 119129476
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
CID 96527113

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide (CID 120610765) is 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide is CN(C(=O)CCc1ccccc1N)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide?
The InChIKey is GGCRPDOMVSNAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-23(19(25)11-10-14-6-2-4-8-16(14)22)18-12-13-24(20(18)26)17-9-5-3-7-15(17)21/h2-9,18H,10-13,22H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide?
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide has a molecular weight of 355.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 120610765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).