3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

C15H14F2N2O — CID 78838373

IUPAC3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(F)c(F)c2)c(C)n1
InChIInChI=1S/C15H14F2N2O/c1-8-6-9(2)18-10(3)14(8)19-15(20)11-4-5-12(16)13(17)7-11/h4-7H,1-3H3,(H,19,20)
InChIKeyZPJQDYRSJHGXHQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.54
Rot. Bonds2

About 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (PubChem CID 78838373) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
PubChem CID78838373
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(F)c(F)c2)c(C)n1
InChIInChI=1S/C15H14F2N2O/c1-8-6-9(2)18-10(3)14(8)19-15(20)11-4-5-12(16)13(17)7-11/h4-7H,1-3H3,(H,19,20)
InChIKeyZPJQDYRSJHGXHQ-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
CID 78838290
6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78837599
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859603
2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide
CID 100682484
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
1-acetyl-N-(2,4,6-trimethyl-3-pyridinyl)-2,3-dihydroindole-5-carboxamide
CID 78859744
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859795
2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide
CID 78859866
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (CID 78838373) is 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(F)c(F)c2)c(C)n1.
What is the InChIKey of 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The InChIKey is ZPJQDYRSJHGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-6-9(2)18-10(3)14(8)19-15(20)11-4-5-12(16)13(17)7-11/h4-7H,1-3H3,(H,19,20).
What are the key properties of 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide has a molecular weight of 276.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is sourced from PubChem (CID 78838373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).