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

C20H16N2O2 — CID 695428

IUPAC(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](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/t18-/m0/s1
InChIKeyCXLGQRXSQBRXHM-SFHVURJKSA-N
MW316.36 g/mol
LogP3.58
Rot. Bonds3

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

(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 695428) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
PubChem CID695428
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](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/t18-/m0/s1
InChIKeyCXLGQRXSQBRXHM-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione (CID 695428) is (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1.
What is the InChIKey of (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is CXLGQRXSQBRXHM-SFHVURJKSA-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/t18-/m0/s1.
What are the key properties of (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione?
(3S)-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 (3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 695428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).