2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide

C24H22FN3O2 — CID 99807453

IUPAC2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Nc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C24H22FN3O2/c1-27(22-15-16-28(24(22)30)21-14-8-6-12-19(21)25)23(29)18-11-5-7-13-20(18)26-17-9-3-2-4-10-17/h2-14,22,26H,15-16H2,1H3/t22-/m0/s1
InChIKeyHXSWBLUYINHYDM-QFIPXVFZSA-N
MW403.46 g/mol
LogP4.45
Rot. Bonds5

About 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide

2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide (PubChem CID 99807453) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
PubChem CID99807453
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Nc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C24H22FN3O2/c1-27(22-15-16-28(24(22)30)21-14-8-6-12-19(21)25)23(29)18-11-5-7-13-20(18)26-17-9-3-2-4-10-17/h2-14,22,26H,15-16H2,1H3/t22-/m0/s1
InChIKeyHXSWBLUYINHYDM-QFIPXVFZSA-N
XLogP4.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
CID 96527113
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 97352449
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 119129476
3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 71875837
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
CID 124684318
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
The IUPAC name of 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide (CID 99807453) is 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1Nc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
The InChIKey is HXSWBLUYINHYDM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-27(22-15-16-28(24(22)30)21-14-8-6-12-19(21)25)23(29)18-11-5-7-13-20(18)26-17-9-3-2-4-10-17/h2-14,22,26H,15-16H2,1H3/t22-/m0/s1.
What are the key properties of 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 99807453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).