5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

C18H17F3N2O — CID 13284556

IUPAC5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESCC1CN(c2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O/c1-13-11-22(15-7-3-2-4-8-15)17(24)23(12-13)16-9-5-6-14(10-16)18(19,20)21/h2-10,13H,11-12H2,1H3
InChIKeyKBLAQPQAYCNENT-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.79
Rot. Bonds2

About 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (PubChem CID 13284556) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
PubChem CID13284556
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESCC1CN(c2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O/c1-13-11-22(15-7-3-2-4-8-15)17(24)23(12-13)16-9-5-6-14(10-16)18(19,20)21/h2-10,13H,11-12H2,1H3
InChIKeyKBLAQPQAYCNENT-UHFFFAOYSA-N
XLogP4.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
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3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
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3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 14050274
(1S,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-en-3-one
CID 69151810
3-methyl-1-[3-(trifluoromethyl)phenyl]-4-(2,5,5-trimethyloxolan-2-yl)pyrrolidin-2-one
CID 142259073
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
(3R,4R)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 811359
(3R,4S)-4-(chloromethyl)-3-fluoro-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70482571
3-[bromo(triphenyl)-λ5-phosphanyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 140976510
[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
CID 154239323

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (CID 13284556) is 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is CC1CN(c2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is KBLAQPQAYCNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-13-11-22(15-7-3-2-4-8-15)17(24)23(12-13)16-9-5-6-14(10-16)18(19,20)21/h2-10,13H,11-12H2,1H3.
What are the key properties of 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 334.34 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 13284556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).