2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

C22H14F7NO — CID 135055453

IUPAC2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(-c2cccc(C)c2C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1
InChIInChI=1S/C22H14F7NO/c1-10-6-8-12(9-7-10)13-5-3-4-11(2)14(13)21(31)30-20-18(25)16(23)15(22(27,28)29)17(24)19(20)26/h3-9H,1-2H3,(H,30,31)
InChIKeyRPUCCJYBCQQKNW-UHFFFAOYSA-N
MW441.35 g/mol
LogP6.80
Rot. Bonds3

About 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 135055453) has the molecular formula C22H14F7NO and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID135055453
Molecular FormulaC22H14F7NO
Molecular Weight441.35 g/mol
Exact Mass441.10
IUPAC Name2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(-c2cccc(C)c2C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1
InChIInChI=1S/C22H14F7NO/c1-10-6-8-12(9-7-10)13-5-3-4-11(2)14(13)21(31)30-20-18(25)16(23)15(22(27,28)29)17(24)19(20)26/h3-9H,1-2H3,(H,30,31)
InChIKeyRPUCCJYBCQQKNW-UHFFFAOYSA-N
XLogP6.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 56.80
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

[4-(4-methylphenyl)-3-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 135003848
5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 56647411
2-(diethylamino)-6-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 134848567
4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 86708437
methyl 5-methyl-2-[4-methyl-3-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]phenyl]benzoate
CID 122443673
N-[2,6-bis(4-methylphenyl)phenyl]acetamide
CID 11278492
4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490517
2,6-bis(4-methylphenyl)benzamide
CID 11301076
2-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylic acid
CID 53270899
1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19280765
2,3,4,5,6-pentafluoro-N-[(3-methylphenyl)-[5-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline
CID 132504754
2-[4-[3,5-bis(trifluoromethyl)phenyl]-1,3-dioxoisoindol-2-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 118343344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (CID 135055453) is 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is Cc1ccc(-c2cccc(C)c2C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RPUCCJYBCQQKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F7NO/c1-10-6-8-12(9-7-10)13-5-3-4-11(2)14(13)21(31)30-20-18(25)16(23)15(22(27,28)29)17(24)19(20)26/h3-9H,1-2H3,(H,30,31).
What are the key properties of 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 441.35 g/mol, XLogP of 6.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 135055453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).