N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide

C20H16F2N2O — CID 70311383

IUPACN-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESCc1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)c1
InChIInChI=1S/C20H16F2N2O/c1-12-6-7-13(2)15(10-12)18-9-8-14(11-23-18)24-20(25)19-16(21)4-3-5-17(19)22/h3-11H,1-2H3,(H,24,25)
InChIKeyMEWDITKVQQEZIJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.90
Rot. Bonds3

About N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide

N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 70311383) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID70311383
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC NameN-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESCc1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)c1
InChIInChI=1S/C20H16F2N2O/c1-12-6-7-13(2)15(10-12)18-9-8-14(11-23-18)24-20(25)19-16(21)4-3-5-17(19)22/h3-11H,1-2H3,(H,24,25)
InChIKeyMEWDITKVQQEZIJ-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide
CID 46376177
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
CID 24776094
2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide
CID 87056739
N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 58639494
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
CID 58486951

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide (CID 70311383) is N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide is Cc1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)c1.
What is the InChIKey of N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is MEWDITKVQQEZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-12-6-7-13(2)15(10-12)18-9-8-14(11-23-18)24-20(25)19-16(21)4-3-5-17(19)22/h3-11H,1-2H3,(H,24,25).
What are the key properties of N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 338.36 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 70311383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).