N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C18H19F3N2O4 — CID 55801059

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C18H19F3N2O4/c1-26-7-8-27-15-4-2-3-13(9-15)10-22-16(24)12-23-11-14(18(19,20)21)5-6-17(23)25/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,24)
InChIKeyDGXGXVSDXDDTPQ-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.21
Rot. Bonds8

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55801059) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55801059
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C18H19F3N2O4/c1-26-7-8-27-15-4-2-3-13(9-15)10-22-16(24)12-23-11-14(18(19,20)21)5-6-17(23)25/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,24)
InChIKeyDGXGXVSDXDDTPQ-UHFFFAOYSA-N
XLogP2.21
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55801059) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is COCCOc1cccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is DGXGXVSDXDDTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-26-7-8-27-15-4-2-3-13(9-15)10-22-16(24)12-23-11-14(18(19,20)21)5-6-17(23)25/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,24).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 384.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55801059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).