(3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione

C29H23N3O5 — CID 92697616

IUPAC(3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2ccccc2)C(=O)N1c1ccc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C29H23N3O5/c33-28-18-25(21-9-5-2-6-10-21)29(34)31(28)23-13-16-26(27(17-23)32(35)36)30-22-11-14-24(15-12-22)37-19-20-7-3-1-4-8-20/h1-17,25,30H,18-19H2/t25-/m1/s1
InChIKeyFYBKVYAXCHGNQI-RUZDIDTESA-N
MW493.52 g/mol
LogP5.96
Rot. Bonds8

About (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione

(3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 92697616) has the molecular formula C29H23N3O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID92697616
Molecular FormulaC29H23N3O5
Molecular Weight493.52 g/mol
Exact Mass493.16
IUPAC Name(3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2ccccc2)C(=O)N1c1ccc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C29H23N3O5/c33-28-18-25(21-9-5-2-6-10-21)29(34)31(28)23-13-16-26(27(17-23)32(35)36)30-22-11-14-24(15-12-22)37-19-20-7-3-1-4-8-20/h1-17,25,30H,18-19H2/t25-/m1/s1
InChIKeyFYBKVYAXCHGNQI-RUZDIDTESA-N
XLogP5.96
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6R,7R)-4-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124775270
4-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 15992449
(1R,2S,6R,7R)-4-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98365281
(3R)-1-[4-[(3-chlorophenyl)methylamino]-3-nitrophenyl]-3-phenylpyrrolidine-2,5-dione
CID 98365128
2,4-dinitro-N-(4-phenylmethoxyphenyl)aniline
CID 4947500
(3S)-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl]-3-phenylpyrrolidine-2,5-dione
CID 92697621
(3S)-3-methyl-1-[3-nitro-4-(3-phenylpropylamino)phenyl]pyrrolidine-2,5-dione
CID 98332198
(3S)-1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitrophenyl]-3-phenylpyrrolidine-2,5-dione
CID 98365151
7-chloro-6-nitro-N-(4-phenylmethoxyphenyl)quinazolin-2-amine
CID 156788527
(3R)-1-[4-(2-benzylsulfanylethylamino)-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione
CID 98332200
N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide
CID 46374503
(3S)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6925332

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione (CID 92697616) is (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione is O=C1C[C@H](c2ccccc2)C(=O)N1c1ccc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is FYBKVYAXCHGNQI-RUZDIDTESA-N. The full InChI is InChI=1S/C29H23N3O5/c33-28-18-25(21-9-5-2-6-10-21)29(34)31(28)23-13-16-26(27(17-23)32(35)36)30-22-11-14-24(15-12-22)37-19-20-7-3-1-4-8-20/h1-17,25,30H,18-19H2/t25-/m1/s1.
What are the key properties of (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione?
(3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 493.52 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-nitro-4-(4-phenylmethoxyanilino)phenyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 92697616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).