2,6-difluoro-N-(4-methylphenyl)benzamide;ethane

C16H17F2NO — CID 143234800

IUPAC2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C14H11F2NO.C2H6/c1-9-5-7-10(8-6-9)17-14(18)13-11(15)3-2-4-12(13)16;1-2/h2-8H,1H3,(H,17,18);1-2H3
InChIKeyPIQMEZFGQBORQU-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.55
Rot. Bonds2

About 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane

2,6-difluoro-N-(4-methylphenyl)benzamide;ethane (PubChem CID 143234800) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
PubChem CID143234800
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C14H11F2NO.C2H6/c1-9-5-7-10(8-6-9)17-14(18)13-11(15)3-2-4-12(13)16;1-2/h2-8H,1H3,(H,17,18);1-2H3
InChIKeyPIQMEZFGQBORQU-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide
CID 46376177
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
CID 87056899
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide
CID 58110509
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane?
The IUPAC name of 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane (CID 143234800) is 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane.
What is the SMILES notation for 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane?
The canonical SMILES for 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane is CC.Cc1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane?
The InChIKey is PIQMEZFGQBORQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO.C2H6/c1-9-5-7-10(8-6-9)17-14(18)13-11(15)3-2-4-12(13)16;1-2/h2-8H,1H3,(H,17,18);1-2H3.
What are the key properties of 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane?
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane has a molecular weight of 277.31 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methylphenyl)benzamide;ethane is sourced from PubChem (CID 143234800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).