2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

C17H17F4N3O — CID 56740885

IUPAC2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cc(F)ccc2C)n1
InChIInChI=1S/C17H17F4N3O/c1-10-3-4-13(18)8-12(10)9-16(25)22-6-5-15-23-11(2)7-14(24-15)17(19,20)21/h3-4,7-8H,5-6,9H2,1-2H3,(H,22,25)
InChIKeyURUAMERFZUVCHN-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.15
Rot. Bonds5

About 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (PubChem CID 56740885) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
PubChem CID56740885
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cc(F)ccc2C)n1
InChIInChI=1S/C17H17F4N3O/c1-10-3-4-13(18)8-12(10)9-16(25)22-6-5-15-23-11(2)7-14(24-15)17(19,20)21/h3-4,7-8H,5-6,9H2,1-2H3,(H,22,25)
InChIKeyURUAMERFZUVCHN-UHFFFAOYSA-N
XLogP3.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (CID 56740885) is 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cc(F)ccc2C)n1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is URUAMERFZUVCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O/c1-10-3-4-13(18)8-12(10)9-16(25)22-6-5-15-23-11(2)7-14(24-15)17(19,20)21/h3-4,7-8H,5-6,9H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 355.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 56740885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).