3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H19ClN2O2 — CID 61293928

IUPAC3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(N2C(=O)NC3(CCCC(C)C3)C2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-10-4-3-7-16(9-10)14(20)19(15(21)18-16)12-6-5-11(2)13(17)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21)
InChIKeyUOIUSNHTJOGHHN-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.65
Rot. Bonds1

About 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 61293928) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID61293928
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(N2C(=O)NC3(CCCC(C)C3)C2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-10-4-3-7-16(9-10)14(20)19(15(21)18-16)12-6-5-11(2)13(17)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21)
InChIKeyUOIUSNHTJOGHHN-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione 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 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 61293928) is 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(N2C(=O)NC3(CCCC(C)C3)C2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UOIUSNHTJOGHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-4-3-7-16(9-10)14(20)19(15(21)18-16)12-6-5-11(2)13(17)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21).
What are the key properties of 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 306.79 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 61293928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).