N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide

C22H20F3N3O — CID 71796997

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H20F3N3O/c1-15-14-18(22(23,24)25)28-19(27-15)12-13-26-21(29)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,20H,12-13H2,1H3,(H,26,29)
InChIKeyOZGHFBOJLKRGPS-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.29
Rot. Bonds6

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide (PubChem CID 71796997) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide
PubChem CID71796997
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H20F3N3O/c1-15-14-18(22(23,24)25)28-19(27-15)12-13-26-21(29)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,20H,12-13H2,1H3,(H,26,29)
InChIKeyOZGHFBOJLKRGPS-UHFFFAOYSA-N
XLogP4.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 49867423
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide (CID 71796997) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide?
The InChIKey is OZGHFBOJLKRGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c1-15-14-18(22(23,24)25)28-19(27-15)12-13-26-21(29)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,20H,12-13H2,1H3,(H,26,29).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,2-diphenylacetamide has a molecular weight of 399.42 g/mol, XLogP of 4.29, 6 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]-2,2-diphenylacetamide is sourced from PubChem (CID 71796997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).