2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

C20H16F3N3O2 — CID 118948830

IUPAC2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2c(C(N)=O)cccc2C(F)(F)F)cc1-c1cn(C)c(=O)cn1
InChIInChI=1S/C20H16F3N3O2/c1-11-6-7-12(8-14(11)16-10-26(2)17(27)9-25-16)18-13(19(24)28)4-3-5-15(18)20(21,22)23/h3-10H,1-2H3,(H2,24,28)
InChIKeyKEARHOIBKMYNMW-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.54
Rot. Bonds3

About 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 118948830) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID118948830
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2c(C(N)=O)cccc2C(F)(F)F)cc1-c1cn(C)c(=O)cn1
InChIInChI=1S/C20H16F3N3O2/c1-11-6-7-12(8-14(11)16-10-26(2)17(27)9-25-16)18-13(19(24)28)4-3-5-15(18)20(21,22)23/h3-10H,1-2H3,(H2,24,28)
InChIKeyKEARHOIBKMYNMW-UHFFFAOYSA-N
XLogP3.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 118948830) is 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(-c2c(C(N)=O)cccc2C(F)(F)F)cc1-c1cn(C)c(=O)cn1.
What is the InChIKey of 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KEARHOIBKMYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-11-6-7-12(8-14(11)16-10-26(2)17(27)9-25-16)18-13(19(24)28)4-3-5-15(18)20(21,22)23/h3-10H,1-2H3,(H2,24,28).
What are the key properties of 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 387.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118948830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).