3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione

C13H15ClN2O2 — CID 2813018

IUPAC3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-9(2)15-8-7-12(17)16(13(15)18)11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3
InChIKeyJPZVCOHTDCPRPY-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.91
Rot. Bonds2

About 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione

3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 2813018) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID2813018
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-9(2)15-8-7-12(17)16(13(15)18)11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3
InChIKeyJPZVCOHTDCPRPY-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione (CID 2813018) is 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione is CC(C)N1CCC(=O)N(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is JPZVCOHTDCPRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(2)15-8-7-12(17)16(13(15)18)11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 266.73 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 2813018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).