3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C21H24F3NO — CID 59836602

IUPAC3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C21H24F3NO/c1-20(2,3)13-16-6-5-7-17(12-16)19(26)25(4)14-15-8-10-18(11-9-15)21(22,23)24/h5-12H,13-14H2,1-4H3
InChIKeyDDFNICJABLOKSN-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.57
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 59836602) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID59836602
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C21H24F3NO/c1-20(2,3)13-16-6-5-7-17(12-16)19(26)25(4)14-15-8-10-18(11-9-15)21(22,23)24/h5-12H,13-14H2,1-4H3
InChIKeyDDFNICJABLOKSN-UHFFFAOYSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 59836648
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619521
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
3-[[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111300042
6-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 134031313
N,4-dimethyl-3,5-dinitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31184802
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide
CID 68738978

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 59836602) is 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(CC(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is DDFNICJABLOKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-20(2,3)13-16-6-5-7-17(12-16)19(26)25(4)14-15-8-10-18(11-9-15)21(22,23)24/h5-12H,13-14H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 59836602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).