propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate

C15H16Cl2N2O3 — CID 4293623

IUPACpropan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)NC(c2ccc(Cl)cc2Cl)C1C(=O)OC(C)C
InChIInChI=1S/C15H16Cl2N2O3/c1-7(2)22-14(20)12-8(3)18-15(21)19-13(12)10-5-4-9(16)6-11(10)17/h4-7,12-13H,3H2,1-2H3,(H2,18,19,21)
InChIKeyQGJMTMIZOYJRDX-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.43
Rot. Bonds3

About propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate

propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate (PubChem CID 4293623) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
PubChem CID4293623
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Namepropan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)NC(c2ccc(Cl)cc2Cl)C1C(=O)OC(C)C
InChIInChI=1S/C15H16Cl2N2O3/c1-7(2)22-14(20)12-8(3)18-15(21)19-13(12)10-5-4-9(16)6-11(10)17/h4-7,12-13H,3H2,1-2H3,(H2,18,19,21)
InChIKeyQGJMTMIZOYJRDX-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The IUPAC name of propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate (CID 4293623) is propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate is C=C1NC(=O)NC(c2ccc(Cl)cc2Cl)C1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The InChIKey is QGJMTMIZOYJRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c1-7(2)22-14(20)12-8(3)18-15(21)19-13(12)10-5-4-9(16)6-11(10)17/h4-7,12-13H,3H2,1-2H3,(H2,18,19,21).
What are the key properties of propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate has a molecular weight of 343.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 4293623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).