3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C15H11F4NO — CID 63188707

IUPAC3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H11F4NO/c1-20(8-9-2-4-11(16)5-3-9)15(21)10-6-12(17)14(19)13(18)7-10/h2-7H,8H2,1H3
InChIKeyPODGGDPSXJDWJT-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.52
Rot. Bonds3

About 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 63188707) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID63188707
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H11F4NO/c1-20(8-9-2-4-11(16)5-3-9)15(21)10-6-12(17)14(19)13(18)7-10/h2-7H,8H2,1H3
InChIKeyPODGGDPSXJDWJT-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3,5-dinitrobenzamide
CID 78770425
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
CID 46474337

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 63188707) is 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is PODGGDPSXJDWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c1-20(8-9-2-4-11(16)5-3-9)15(21)10-6-12(17)14(19)13(18)7-10/h2-7H,8H2,1H3.
What are the key properties of 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 297.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 63188707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).