N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide

C21H17F2NO — CID 11267698

IUPACN-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide
SMILESCc1ccc(C)c(-c2ccc(NC(=O)c3cccc(F)c3F)cc2)c1
InChIInChI=1S/C21H17F2NO/c1-13-6-7-14(2)18(12-13)15-8-10-16(11-9-15)24-21(25)17-4-3-5-19(22)20(17)23/h3-12H,1-2H3,(H,24,25)
InChIKeyQARVELYUQXUXPD-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.50
Rot. Bonds3

About N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide

N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide (PubChem CID 11267698) has the molecular formula C21H17F2NO and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide
PubChem CID11267698
Molecular FormulaC21H17F2NO
Molecular Weight337.37 g/mol
Exact Mass337.13
IUPAC NameN-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide
SMILESCc1ccc(C)c(-c2ccc(NC(=O)c3cccc(F)c3F)cc2)c1
InChIInChI=1S/C21H17F2NO/c1-13-6-7-14(2)18(12-13)15-8-10-16(11-9-15)24-21(25)17-4-3-5-19(22)20(17)23/h3-12H,1-2H3,(H,24,25)
InChIKeyQARVELYUQXUXPD-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide (CID 11267698) is N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide is Cc1ccc(C)c(-c2ccc(NC(=O)c3cccc(F)c3F)cc2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide?
The InChIKey is QARVELYUQXUXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO/c1-13-6-7-14(2)18(12-13)15-8-10-16(11-9-15)24-21(25)17-4-3-5-19(22)20(17)23/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide?
N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide has a molecular weight of 337.37 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)phenyl]-2,3-difluorobenzamide is sourced from PubChem (CID 11267698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).