3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

C16H19ClN2O2 — CID 61289546

IUPAC3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1ccc(N2C(=O)NC3(CCCCCC3)C2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-11-6-7-12(10-13(11)17)19-14(20)16(18-15(19)21)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyBRVFMYZXUUUXPI-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.80
Rot. Bonds1

About 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 61289546) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID61289546
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1ccc(N2C(=O)NC3(CCCCCC3)C2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-11-6-7-12(10-13(11)17)19-14(20)16(18-15(19)21)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyBRVFMYZXUUUXPI-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 61289546) is 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is Cc1ccc(N2C(=O)NC3(CCCCCC3)C2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is BRVFMYZXUUUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-6-7-12(10-13(11)17)19-14(20)16(18-15(19)21)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,21).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 306.79 g/mol, XLogP of 3.80, 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)-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 61289546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).