N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C18H19F4N3O2 — CID 55950499

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(C)C(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H19F4N3O2/c1-24(2)15(12-5-7-13(19)8-6-12)10-23-16(26)11-25-9-3-4-14(17(25)27)18(20,21)22/h3-9,15H,10-11H2,1-2H3,(H,23,26)
InChIKeyXJLCXWNZNNCBMW-UHFFFAOYSA-N
MW385.36 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55950499) has the molecular formula C18H19F4N3O2 and a molecular weight of 385.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55950499
Molecular FormulaC18H19F4N3O2
Molecular Weight385.36 g/mol
Exact Mass385.14
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(C)C(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H19F4N3O2/c1-24(2)15(12-5-7-13(19)8-6-12)10-23-16(26)11-25-9-3-4-14(17(25)27)18(20,21)22/h3-9,15H,10-11H2,1-2H3,(H,23,26)
InChIKeyXJLCXWNZNNCBMW-UHFFFAOYSA-N
XLogP2.43
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
methyl 3-(4-fluorophenyl)-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoate
CID 55995564
N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111429139
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111441452
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110889033
tert-butyl N-methyl-N-[2-methyl-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propyl]carbamate
CID 86934605
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide
CID 39041536
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86877255
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55543815
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37397619

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55950499) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CN(C)C(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is XJLCXWNZNNCBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O2/c1-24(2)15(12-5-7-13(19)8-6-12)10-23-16(26)11-25-9-3-4-14(17(25)27)18(20,21)22/h3-9,15H,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 385.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55950499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).