2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide

C13H9BrF4N2O2 — CID 118126608

IUPAC2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
SMILESBr.O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H8F4N2O2.BrH/c14-10-5-7(13(15,16)17)1-2-9(10)12(21)19-8-3-4-18-11(20)6-8;/h1-6H,(H2,18,19,20,21);1H
InChIKeyPMHDCIHRWLLMKO-UHFFFAOYSA-N
MW381.12 g/mol
LogP3.36
Rot. Bonds2

About 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide

2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide (PubChem CID 118126608) has the molecular formula C13H9BrF4N2O2 and a molecular weight of 381.12 g/mol. Its IUPAC name is 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

Compound Name2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
PubChem CID118126608
Molecular FormulaC13H9BrF4N2O2
Molecular Weight381.12 g/mol
Exact Mass379.98
IUPAC Name2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
SMILESBr.O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H8F4N2O2.BrH/c14-10-5-7(13(15,16)17)1-2-9(10)12(21)19-8-3-4-18-11(20)6-8;/h1-6H,(H2,18,19,20,21);1H
InChIKeyPMHDCIHRWLLMKO-UHFFFAOYSA-N
XLogP3.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.12
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
CID 90302339
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)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 90034791
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
CID 162620602
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
CID 158204256
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034823
2-[(2-methyl-3-pyridinyl)oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034856
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
2-[2-(3-amino-3-oxopropyl)-4-fluorophenoxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 175359905
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide?
The IUPAC name of 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide (CID 118126608) is 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide.
What is the SMILES notation for 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide?
The canonical SMILES for 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide is Br.O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide?
The InChIKey is PMHDCIHRWLLMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O2.BrH/c14-10-5-7(13(15,16)17)1-2-9(10)12(21)19-8-3-4-18-11(20)6-8;/h1-6H,(H2,18,19,20,21);1H.
What are the key properties of 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide?
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 381.12 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 118126608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).