3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione

C20H16N2O2 — CID 2872674

IUPAC3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-13-18(20(24)22(19)17-8-2-1-3-9-17)21-16-11-10-14-6-4-5-7-15(14)12-16/h1-12,18,21H,13H2
InChIKeyCXLGQRXSQBRXHM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.58
Rot. Bonds3

About 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione

3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 2872674) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
PubChem CID2872674
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-13-18(20(24)22(19)17-8-2-1-3-9-17)21-16-11-10-14-6-4-5-7-15(14)12-16/h1-12,18,21H,13H2
InChIKeyCXLGQRXSQBRXHM-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 695428
3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 19057923
3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
CID 766662
3-(4-nitroanilino)-1-phenylpyrrolidine-2,5-dione
CID 19163761
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 98187808
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione (CID 2872674) is 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione is O=C1CC(Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is CXLGQRXSQBRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-13-18(20(24)22(19)17-8-2-1-3-9-17)21-16-11-10-14-6-4-5-7-15(14)12-16/h1-12,18,21H,13H2.
What are the key properties of 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2872674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).