N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide

C17H14F6N2O3 — CID 90302339

IUPACN-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OCCCC(F)(F)F
InChIInChI=1S/C17H14F6N2O3/c18-16(19,20)5-1-7-28-13-3-2-10(17(21,22)23)8-12(13)15(27)25-11-4-6-24-14(26)9-11/h2-4,6,8-9H,1,5,7H2,(H2,24,25,26,27)
InChIKeyQGRSBMGQNLDEPE-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.37
Rot. Bonds6

About N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide

N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide (PubChem CID 90302339) has the molecular formula C17H14F6N2O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
PubChem CID90302339
Molecular FormulaC17H14F6N2O3
Molecular Weight408.30 g/mol
Exact Mass408.09
IUPAC NameN-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OCCCC(F)(F)F
InChIInChI=1S/C17H14F6N2O3/c18-16(19,20)5-1-7-28-13-3-2-10(17(21,22)23)8-12(13)15(27)25-11-4-6-24-14(26)9-11/h2-4,6,8-9H,1,5,7H2,(H2,24,25,26,27)
InChIKeyQGRSBMGQNLDEPE-UHFFFAOYSA-N
XLogP4.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
CID 118126608
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
CID 162620602
4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 160785317
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
CID 158204256
2-[4-fluoro-2-[3-(methylamino)propoxy]phenoxy]-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 177357924
N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 90034791
2-[(2-methyl-3-pyridinyl)oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034856
2-[2-(3-amino-3-oxopropyl)-4-fluorophenoxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 175359905
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide
CID 90306153

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide (CID 90302339) is N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide is O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OCCCC(F)(F)F.
What is the InChIKey of N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is QGRSBMGQNLDEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3/c18-16(19,20)5-1-7-28-13-3-2-10(17(21,22)23)8-12(13)15(27)25-11-4-6-24-14(26)9-11/h2-4,6,8-9H,1,5,7H2,(H2,24,25,26,27).
What are the key properties of N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide?
N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 408.30 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90302339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).