N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide

C18H19F3N2O2 — CID 5183038

IUPACN-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-17(2,3)16(25)23-15-13(8-5-9-22-15)14(24)11-6-4-7-12(10-11)18(19,20)21/h4-10,14,24H,1-3H3,(H,22,23,25)
InChIKeyDPTXGYQYEVVWMM-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.17
Rot. Bonds3

About N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 5183038) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID5183038
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-17(2,3)16(25)23-15-13(8-5-9-22-15)14(24)11-6-4-7-12(10-11)18(19,20)21/h4-10,14,24H,1-3H3,(H,22,23,25)
InChIKeyDPTXGYQYEVVWMM-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 5183038) is N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is DPTXGYQYEVVWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-17(2,3)16(25)23-15-13(8-5-9-22-15)14(24)11-6-4-7-12(10-11)18(19,20)21/h4-10,14,24H,1-3H3,(H,22,23,25).
What are the key properties of N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 352.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 5183038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).