2,3,5-trifluoro-N-methylbenzamide

C8H6F3NO — CID 58656809

IUPAC2,3,5-trifluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(F)c1F
InChIInChI=1S/C8H6F3NO/c1-12-8(13)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3,(H,12,13)
InChIKeyBXUKJHZZYBNGJH-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.46
Rot. Bonds1

About 2,3,5-trifluoro-N-methylbenzamide

2,3,5-trifluoro-N-methylbenzamide (PubChem CID 58656809) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-methylbenzamide.

Molecular Properties

Compound Name2,3,5-trifluoro-N-methylbenzamide
PubChem CID58656809
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name2,3,5-trifluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(F)c1F
InChIInChI=1S/C8H6F3NO/c1-12-8(13)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3,(H,12,13)
InChIKeyBXUKJHZZYBNGJH-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N,2-dimethylbenzamide
CID 67627187
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one
CID 130598156
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide
CID 167606728
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367980
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
CID 82112280
3,5-difluoro-N-methylpyridine-2-carboxamide
CID 58243777

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-methylbenzamide?
The IUPAC name of 2,3,5-trifluoro-N-methylbenzamide (CID 58656809) is 2,3,5-trifluoro-N-methylbenzamide.
What is the SMILES notation for 2,3,5-trifluoro-N-methylbenzamide?
The canonical SMILES for 2,3,5-trifluoro-N-methylbenzamide is CNC(=O)c1cc(F)cc(F)c1F.
What is the InChIKey of 2,3,5-trifluoro-N-methylbenzamide?
The InChIKey is BXUKJHZZYBNGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-12-8(13)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3,(H,12,13).
What are the key properties of 2,3,5-trifluoro-N-methylbenzamide?
2,3,5-trifluoro-N-methylbenzamide has a molecular weight of 189.14 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-methylbenzamide is sourced from PubChem (CID 58656809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).