3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide

C16H15F2NO — CID 4815673

IUPAC3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C16H15F2NO/c1-9-4-10(2)15(11(3)5-9)19-16(20)12-6-13(17)8-14(18)7-12/h4-8H,1-3H3,(H,19,20)
InChIKeyIITAQFZASMROMJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.14
Rot. Bonds2

About 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide

3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 4815673) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID4815673
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C16H15F2NO/c1-9-4-10(2)15(11(3)5-9)19-16(20)12-6-13(17)8-14(18)7-12/h4-8H,1-3H3,(H,19,20)
InChIKeyIITAQFZASMROMJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3-[(3-fluoro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914898
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
CID 62098085
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide (CID 4815673) is 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cc(F)cc(F)c2)c(C)c1.
What is the InChIKey of 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is IITAQFZASMROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-9-4-10(2)15(11(3)5-9)19-16(20)12-6-13(17)8-14(18)7-12/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide?
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 275.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 4815673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).