4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide

C15H13F2NO — CID 112702327

IUPAC4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C15H13F2NO/c1-9-3-6-13(17)14(7-9)18-15(19)12-5-4-11(16)8-10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyXTKPMFYBSGOGEQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.83
Rot. Bonds2

About 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide

4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide (PubChem CID 112702327) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
PubChem CID112702327
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C15H13F2NO/c1-9-3-6-13(17)14(7-9)18-15(19)12-5-4-11(16)8-10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyXTKPMFYBSGOGEQ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2,5-dimethylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103887364
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N'-(2,5-difluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 24644754
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148805
N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
CID 115745652
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide (CID 112702327) is 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide is Cc1ccc(F)c(NC(=O)c2ccc(F)cc2C)c1.
What is the InChIKey of 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide?
The InChIKey is XTKPMFYBSGOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-9-3-6-13(17)14(7-9)18-15(19)12-5-4-11(16)8-10(12)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide?
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide has a molecular weight of 261.27 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 112702327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).