N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide

C14H12F3N3O3 — CID 2148459

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCn1c(NC(=O)c2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H12F3N3O3/c1-19-10(7-11(21)20(2)13(19)23)18-12(22)8-4-3-5-9(6-8)14(15,16)17/h3-7H,1-2H3,(H,18,22)
InChIKeyYMEGAJHKXJFKJV-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.36
Rot. Bonds2

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 2148459) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID2148459
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCn1c(NC(=O)c2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H12F3N3O3/c1-19-10(7-11(21)20(2)13(19)23)18-12(22)8-4-3-5-9(6-8)14(15,16)17/h3-7H,1-2H3,(H,18,22)
InChIKeyYMEGAJHKXJFKJV-UHFFFAOYSA-N
XLogP1.36
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide (CID 2148459) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide is Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is YMEGAJHKXJFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-19-10(7-11(21)20(2)13(19)23)18-12(22)8-4-3-5-9(6-8)14(15,16)17/h3-7H,1-2H3,(H,18,22).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 327.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2148459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).