(3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione

C19H13Cl2N3O4 — CID 69263237

IUPAC(3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESCC(=O)N1C(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@]2(C(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C19H13Cl2N3O4/c1-10(25)24-17(27)19(12-4-2-3-5-15(12)22-16(19)26)23(18(24)28)9-11-6-7-13(20)14(21)8-11/h2-8H,9H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyUKOOMTXPPZVNAU-LJQANCHMSA-N
MW418.24 g/mol
LogP3.15
Rot. Bonds2

About (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione

(3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (PubChem CID 69263237) has the molecular formula C19H13Cl2N3O4 and a molecular weight of 418.24 g/mol. Its IUPAC name is (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.

Molecular Properties

Compound Name(3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
PubChem CID69263237
Molecular FormulaC19H13Cl2N3O4
Molecular Weight418.24 g/mol
Exact Mass417.03
IUPAC Name(3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESCC(=O)N1C(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@]2(C(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C19H13Cl2N3O4/c1-10(25)24-17(27)19(12-4-2-3-5-15(12)22-16(19)26)23(18(24)28)9-11-6-7-13(20)14(21)8-11/h2-8H,9H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyUKOOMTXPPZVNAU-LJQANCHMSA-N
XLogP3.15
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The IUPAC name of (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (CID 69263237) is (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.
What is the SMILES notation for (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The canonical SMILES for (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is CC(=O)N1C(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@]2(C(=O)Nc3ccccc32)C1=O.
What is the InChIKey of (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The InChIKey is UKOOMTXPPZVNAU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H13Cl2N3O4/c1-10(25)24-17(27)19(12-4-2-3-5-15(12)22-16(19)26)23(18(24)28)9-11-6-7-13(20)14(21)8-11/h2-8H,9H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
(3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione has a molecular weight of 418.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is sourced from PubChem (CID 69263237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).