3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione

C12H13ClN2O3 — CID 146122496

IUPAC3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1CCOc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3/c13-9-2-1-3-10(8-9)18-7-6-15-11(16)4-5-14-12(15)17/h1-3,8H,4-7H2,(H,14,17)
InChIKeyJKCSLGWKKUHMKA-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.66
Rot. Bonds4

About 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione

3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 146122496) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione
PubChem CID146122496
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1CCOc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3/c13-9-2-1-3-10(8-9)18-7-6-15-11(16)4-5-14-12(15)17/h1-3,8H,4-7H2,(H,14,17)
InChIKeyJKCSLGWKKUHMKA-UHFFFAOYSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-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

Related Compounds

3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione
CID 72849188
(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 26201595
4-[3-(3-chlorophenoxy)propyl]piperazin-2-one
CID 47454012
1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 18079393
1-[2-(3-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 9451980
2-[4-(3-chlorophenoxy)butyl]isoindole-1,3-dione
CID 170886143
(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 41142324
1-(2-pyridin-3-yloxyethyl)pyrrolidine-2,5-dione
CID 143380588
1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
CID 39381768
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propanal
CID 63040616

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione (CID 146122496) is 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione is O=C1CCNC(=O)N1CCOc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is JKCSLGWKKUHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-9-2-1-3-10(8-9)18-7-6-15-11(16)4-5-14-12(15)17/h1-3,8H,4-7H2,(H,14,17).
What are the key properties of 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione?
3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 268.70 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenoxy)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 146122496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).