2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C18H18F3NO — CID 100712114

IUPAC2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H18F3NO/c1-11-7-13(3)16(8-12(11)2)17(23)22-10-14-5-4-6-15(9-14)18(19,20)21/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyPTWOPUSDXJDFTR-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.56
Rot. Bonds3

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

2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 100712114) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID100712114
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H18F3NO/c1-11-7-13(3)16(8-12(11)2)17(23)22-10-14-5-4-6-15(9-14)18(19,20)21/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyPTWOPUSDXJDFTR-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2-sulfanylidene-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 43046537
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 43337163
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 100712114) is 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is Cc1cc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is PTWOPUSDXJDFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-11-7-13(3)16(8-12(11)2)17(23)22-10-14-5-4-6-15(9-14)18(19,20)21/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 321.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 100712114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).