N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide

C14H12F3N3O — CID 108808047

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O/c1-8-7-9(2)19-13(18-8)20-12(21)10-5-3-4-6-11(10)14(15,16)17/h3-7H,1-2H3,(H,18,19,20,21)
InChIKeyJGCRYHPSRDAEDX-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.36
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide

N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 108808047) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID108808047
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O/c1-8-7-9(2)19-13(18-8)20-12(21)10-5-3-4-6-11(10)14(15,16)17/h3-7H,1-2H3,(H,18,19,20,21)
InChIKeyJGCRYHPSRDAEDX-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 18566628
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
CID 1278810
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide
CID 123675503
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide (CID 108808047) is N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide is Cc1cc(C)nc(NC(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is JGCRYHPSRDAEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-8-7-9(2)19-13(18-8)20-12(21)10-5-3-4-6-11(10)14(15,16)17/h3-7H,1-2H3,(H,18,19,20,21).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108808047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).