2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C16H14F3NO2 — CID 33311555

IUPAC2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-11-4-2-3-5-14(11)15(21)20-10-12-6-8-13(9-7-12)22-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyZVOMJQXEVMCPSY-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.82
Rot. Bonds4

About 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 33311555) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID33311555
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-11-4-2-3-5-14(11)15(21)20-10-12-6-8-13(9-7-12)22-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyZVOMJQXEVMCPSY-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 18165007
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
3-chloro-4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 18282798
2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide
CID 87542425
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 33311555) is 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is Cc1ccccc1C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is ZVOMJQXEVMCPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-11-4-2-3-5-14(11)15(21)20-10-12-6-8-13(9-7-12)22-16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 33311555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).