N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C23H17F6NO — CID 42698347

IUPACN-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F6NO/c24-22(25,26)19-11-9-17(10-12-19)15-30(14-16-5-2-1-3-6-16)21(31)18-7-4-8-20(13-18)23(27,28)29/h1-13H,14-15H2
InChIKeyBYJPYCODRHSMCY-UHFFFAOYSA-N
MW437.38 g/mol
LogP6.57
Rot. Bonds5

About N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 42698347) has the molecular formula C23H17F6NO and a molecular weight of 437.38 g/mol. Its IUPAC name is N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID42698347
Molecular FormulaC23H17F6NO
Molecular Weight437.38 g/mol
Exact Mass437.12
IUPAC NameN-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F6NO/c24-22(25,26)19-11-9-17(10-12-19)15-30(14-16-5-2-1-3-6-16)21(31)18-7-4-8-20(13-18)23(27,28)29/h1-13H,14-15H2
InChIKeyBYJPYCODRHSMCY-UHFFFAOYSA-N
XLogP6.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698385
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
CID 52763877
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 5145017
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)benzamide
CID 8781843
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 42698347) is N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is BYJPYCODRHSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6NO/c24-22(25,26)19-11-9-17(10-12-19)15-30(14-16-5-2-1-3-6-16)21(31)18-7-4-8-20(13-18)23(27,28)29/h1-13H,14-15H2.
What are the key properties of N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 437.38 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 42698347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).