N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide

C20H18F3N3O — CID 71796982

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H18F3N3O/c1-13-11-17(20(21,22)23)26-18(25-13)9-10-24-19(27)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyNFBMICITIYKNHW-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.86
Rot. Bonds5

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 71796982) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide
PubChem CID71796982
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H18F3N3O/c1-13-11-17(20(21,22)23)26-18(25-13)9-10-24-19(27)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyNFBMICITIYKNHW-UHFFFAOYSA-N
XLogP3.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide (CID 71796982) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cccc3ccccc23)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is NFBMICITIYKNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-13-11-17(20(21,22)23)26-18(25-13)9-10-24-19(27)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11H,9-10,12H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 373.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 71796982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).