2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide

C18H16Cl3N3O2 — CID 85477526

IUPAC2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CN1CNC(c2ccc(Cl)cc2)CC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl3N3O2/c19-12-3-1-11(2-4-12)15-8-18(26)24(10-22-15)9-17(25)23-16-7-13(20)5-6-14(16)21/h1-7,15,22H,8-10H2,(H,23,25)
InChIKeyVMHSBRHYMCIHMC-UHFFFAOYSA-N
MW412.70 g/mol
LogP4.11
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide

2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 85477526) has the molecular formula C18H16Cl3N3O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID85477526
Molecular FormulaC18H16Cl3N3O2
Molecular Weight412.70 g/mol
Exact Mass411.03
IUPAC Name2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CN1CNC(c2ccc(Cl)cc2)CC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl3N3O2/c19-12-3-1-11(2-4-12)15-8-18(26)24(10-22-15)9-17(25)23-16-7-13(20)5-6-14(16)21/h1-7,15,22H,8-10H2,(H,23,25)
InChIKeyVMHSBRHYMCIHMC-UHFFFAOYSA-N
XLogP4.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide (CID 85477526) is 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide is O=C(CN1CNC(c2ccc(Cl)cc2)CC1=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is VMHSBRHYMCIHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O2/c19-12-3-1-11(2-4-12)15-8-18(26)24(10-22-15)9-17(25)23-16-7-13(20)5-6-14(16)21/h1-7,15,22H,8-10H2,(H,23,25).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide?
2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 412.70 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 85477526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).