2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

C13H9F3N2O2 — CID 110725048

IUPAC2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1=O
InChIInChI=1S/C13H9F3N2O2/c1-18-6-7(2-5-10(18)19)17-13(20)8-3-4-9(14)12(16)11(8)15/h2-6H,1H3,(H,17,20)
InChIKeyPJBJRZDMFHCJEB-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.05
Rot. Bonds2

About 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (PubChem CID 110725048) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
PubChem CID110725048
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1=O
InChIInChI=1S/C13H9F3N2O2/c1-18-6-7(2-5-10(18)19)17-13(20)8-3-4-9(14)12(16)11(8)15/h2-6H,1H3,(H,17,20)
InChIKeyPJBJRZDMFHCJEB-UHFFFAOYSA-N
XLogP2.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80718081
2,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47067429
2,4-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725053
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286
N,2,3,4-tetrafluorobenzamide
CID 91055455
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980375
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986117
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (CID 110725048) is 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is Cn1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1=O.
What is the InChIKey of 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The InChIKey is PJBJRZDMFHCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c1-18-6-7(2-5-10(18)19)17-13(20)8-3-4-9(14)12(16)11(8)15/h2-6H,1H3,(H,17,20).
What are the key properties of 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide has a molecular weight of 282.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is sourced from PubChem (CID 110725048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).