3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide

C15H12F4N2O — CID 176938871

IUPAC3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1c(F)cc(F)c(F)c1Nc1ccc(C)cc1F
InChIInChI=1S/C15H12F4N2O/c1-7-3-4-11(8(16)5-7)21-14-12(15(22)20-2)9(17)6-10(18)13(14)19/h3-6,21H,1-2H3,(H,20,22)
InChIKeyWKHNMGBNCMZVFL-UHFFFAOYSA-N
MW312.27 g/mol
LogP3.65
Rot. Bonds3

About 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide

3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide (PubChem CID 176938871) has the molecular formula C15H12F4N2O and a molecular weight of 312.27 g/mol. Its IUPAC name is 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
PubChem CID176938871
Molecular FormulaC15H12F4N2O
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Name3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1c(F)cc(F)c(F)c1Nc1ccc(C)cc1F
InChIInChI=1S/C15H12F4N2O/c1-7-3-4-11(8(16)5-7)21-14-12(15(22)20-2)9(17)6-10(18)13(14)19/h3-6,21H,1-2H3,(H,20,22)
InChIKeyWKHNMGBNCMZVFL-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 143758150
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-prop-1-ynylbenzamide
CID 176938942
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 143399809
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
CID 82236350

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
The IUPAC name of 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide (CID 176938871) is 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide.
What is the SMILES notation for 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
The canonical SMILES for 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide is CNC(=O)c1c(F)cc(F)c(F)c1Nc1ccc(C)cc1F.
What is the InChIKey of 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
The InChIKey is WKHNMGBNCMZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O/c1-7-3-4-11(8(16)5-7)21-14-12(15(22)20-2)9(17)6-10(18)13(14)19/h3-6,21H,1-2H3,(H,20,22).
What are the key properties of 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide has a molecular weight of 312.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide is sourced from PubChem (CID 176938871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).