2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C17H17F3N2O2 — CID 56721565

IUPAC2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccnc1CN(C)C(=O)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-11-4-3-9-21-14(11)10-22(2)16(24)15(23)12-5-7-13(8-6-12)17(18,19)20/h3-9,15,23H,10H2,1-2H3
InChIKeyKWRZBDKZAGGBER-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.10
Rot. Bonds4

About 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 56721565) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID56721565
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccnc1CN(C)C(=O)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-11-4-3-9-21-14(11)10-22(2)16(24)15(23)12-5-7-13(8-6-12)17(18,19)20/h3-9,15,23H,10H2,1-2H3
InChIKeyKWRZBDKZAGGBER-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 56721565) is 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1cccnc1CN(C)C(=O)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KWRZBDKZAGGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-4-3-9-21-14(11)10-22(2)16(24)15(23)12-5-7-13(8-6-12)17(18,19)20/h3-9,15,23H,10H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 338.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 56721565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).