8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H21Cl2N3O3 — CID 83278754

IUPAC8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O
InChIInChI=1S/C22H21Cl2N3O3/c23-17-6-3-4-15(12-17)14-27-20(29)22(25-21(27)30)8-10-26(11-9-22)19(28)13-16-5-1-2-7-18(16)24/h1-7,12H,8-11,13-14H2,(H,25,30)
InChIKeyBVQCVHNHKOXAKT-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.65
Rot. Bonds4

About 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 83278754) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID83278754
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O
InChIInChI=1S/C22H21Cl2N3O3/c23-17-6-3-4-15(12-17)14-27-20(29)22(25-21(27)30)8-10-26(11-9-22)19(28)13-16-5-1-2-7-18(16)24/h1-7,12H,8-11,13-14H2,(H,25,30)
InChIKeyBVQCVHNHKOXAKT-UHFFFAOYSA-N
XLogP3.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(2-chlorophenyl)acetyl]-3-[(2-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278758
8-benzoyl-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278819
8-[2-(4-chlorophenyl)acetyl]-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278745
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(3-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277156
3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277160
3-benzyl-8-(3-chloro-4-fluorobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278772
3-[(2-chlorophenyl)methyl]-8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277512
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 56824692
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9171228

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 83278754) is 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O.
What is the InChIKey of 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is BVQCVHNHKOXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c23-17-6-3-4-15(12-17)14-27-20(29)22(25-21(27)30)8-10-26(11-9-22)19(28)13-16-5-1-2-7-18(16)24/h1-7,12H,8-11,13-14H2,(H,25,30).
What are the key properties of 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 446.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 83278754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).