(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

C19H15F3N2O2 — CID 2392565

IUPAC(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESC=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H15F3N2O2/c1-11-15(17(25)12-7-3-2-4-8-12)16(24-18(26)23-11)13-9-5-6-10-14(13)19(20,21)22/h2-10,15-16H,1H2,(H2,23,24,26)/t15-,16-/m0/s1
InChIKeyFDUJAPHXLQWQJO-HOTGVXAUSA-N
MW360.34 g/mol
LogP4.07
Rot. Bonds3

About (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (PubChem CID 2392565) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
PubChem CID2392565
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESC=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H15F3N2O2/c1-11-15(17(25)12-7-3-2-4-8-12)16(24-18(26)23-11)13-9-5-6-10-14(13)19(20,21)22/h2-10,15-16H,1H2,(H2,23,24,26)/t15-,16-/m0/s1
InChIKeyFDUJAPHXLQWQJO-HOTGVXAUSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (CID 2392565) is (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is C=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@H]1C(=O)c1ccccc1.
What is the InChIKey of (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is FDUJAPHXLQWQJO-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-11-15(17(25)12-7-3-2-4-8-12)16(24-18(26)23-11)13-9-5-6-10-14(13)19(20,21)22/h2-10,15-16H,1H2,(H2,23,24,26)/t15-,16-/m0/s1.
What are the key properties of (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 360.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 2392565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).