3,5-difluoro-N,2-dimethylbenzamide

C9H9F2NO — CID 67627187

IUPAC3,5-difluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(F)cc(F)c1C
InChIInChI=1S/C9H9F2NO/c1-5-7(9(13)12-2)3-6(10)4-8(5)11/h3-4H,1-2H3,(H,12,13)
InChIKeyCYMYLPYHEHVQBJ-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.63
Rot. Bonds1

About 3,5-difluoro-N,2-dimethylbenzamide

3,5-difluoro-N,2-dimethylbenzamide (PubChem CID 67627187) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3,5-difluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-N,2-dimethylbenzamide
PubChem CID67627187
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3,5-difluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(F)cc(F)c1C
InChIInChI=1S/C9H9F2NO/c1-5-7(9(13)12-2)3-6(10)4-8(5)11/h3-4H,1-2H3,(H,12,13)
InChIKeyCYMYLPYHEHVQBJ-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,5-trifluoro-N-methylbenzamide
CID 58656809
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
[3-fluoro-2-methyl-5-(methylcarbamoyl)phenyl]boronic acid
CID 142998845
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N,2-dimethylbenzamide?
The IUPAC name of 3,5-difluoro-N,2-dimethylbenzamide (CID 67627187) is 3,5-difluoro-N,2-dimethylbenzamide.
What is the SMILES notation for 3,5-difluoro-N,2-dimethylbenzamide?
The canonical SMILES for 3,5-difluoro-N,2-dimethylbenzamide is CNC(=O)c1cc(F)cc(F)c1C.
What is the InChIKey of 3,5-difluoro-N,2-dimethylbenzamide?
The InChIKey is CYMYLPYHEHVQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5-7(9(13)12-2)3-6(10)4-8(5)11/h3-4H,1-2H3,(H,12,13).
What are the key properties of 3,5-difluoro-N,2-dimethylbenzamide?
3,5-difluoro-N,2-dimethylbenzamide has a molecular weight of 185.17 g/mol, XLogP of 1.63, 1 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-dimethylbenzamide is sourced from PubChem (CID 67627187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).