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

C19H17ClF3N3O2 — CID 85477520

IUPAC2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CNC(c2ccc(Cl)cc2)CC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3N3O2/c20-14-6-4-12(5-7-14)16-9-18(28)26(11-24-16)10-17(27)25-15-3-1-2-13(8-15)19(21,22)23/h1-8,16,24H,9-11H2,(H,25,27)
InChIKeyBXAZTVGZEPQLBE-UHFFFAOYSA-N
MW411.81 g/mol
LogP3.82
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 85477520) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID85477520
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CNC(c2ccc(Cl)cc2)CC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3N3O2/c20-14-6-4-12(5-7-14)16-9-18(28)26(11-24-16)10-17(27)25-15-3-1-2-13(8-15)19(21,22)23/h1-8,16,24H,9-11H2,(H,25,27)
InChIKeyBXAZTVGZEPQLBE-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 53.82
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-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 85477520) is 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CNC(c2ccc(Cl)cc2)CC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BXAZTVGZEPQLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c20-14-6-4-12(5-7-14)16-9-18(28)26(11-24-16)10-17(27)25-15-3-1-2-13(8-15)19(21,22)23/h1-8,16,24H,9-11H2,(H,25,27).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-chlorophenyl)-6-oxo-1,3-diazinan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 411.81 g/mol, XLogP of 3.82, 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 85477520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).