(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione

C20H16N2O2 — CID 98524929

IUPAC(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccccc2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C20H16N2O2/c23-19-13-17(21-15-9-2-1-3-10-15)20(24)22(19)18-12-6-8-14-7-4-5-11-16(14)18/h1-12,17,21H,13H2/t17-/m1/s1
InChIKeyPTHXIXLCTUJQTE-QGZVFWFLSA-N
MW316.36 g/mol
LogP3.58
Rot. Bonds3

About (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione

(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione (PubChem CID 98524929) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
PubChem CID98524929
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccccc2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C20H16N2O2/c23-19-13-17(21-15-9-2-1-3-10-15)20(24)22(19)18-12-6-8-14-7-4-5-11-16(14)18/h1-12,17,21H,13H2/t17-/m1/s1
InChIKeyPTHXIXLCTUJQTE-QGZVFWFLSA-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

(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
CID 98463384
3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 139710361
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 509112
N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 2439910
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4855046
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione (CID 98524929) is (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione is O=C1C[C@@H](Nc2ccccc2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The InChIKey is PTHXIXLCTUJQTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-13-17(21-15-9-2-1-3-10-15)20(24)22(19)18-12-6-8-14-7-4-5-11-16(14)18/h1-12,17,21H,13H2/t17-/m1/s1.
What are the key properties of (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione?
(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-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 (3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 98524929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).