3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione

C16H13ClN2O2 — CID 60835623

IUPAC3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-6-8-14(9-7-12)19-15(20)10-11-18(16(19)21)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyAINGRDOMTQJGEL-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.70
Rot. Bonds2

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

3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione (PubChem CID 60835623) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
PubChem CID60835623
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-6-8-14(9-7-12)19-15(20)10-11-18(16(19)21)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyAINGRDOMTQJGEL-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione (CID 60835623) is 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione is O=C1CCN(c2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is AINGRDOMTQJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-6-8-14(9-7-12)19-15(20)10-11-18(16(19)21)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 300.75 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 60835623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).