2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

C18H18F3NO2 — CID 24646594

IUPAC2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H18F3NO2/c1-12-3-4-15(9-13(12)2)10-17(23)22-11-14-5-7-16(8-6-14)24-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyYZFYGYYNXUQAKH-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.06
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 24646594) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID24646594
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H18F3NO2/c1-12-3-4-15(9-13(12)2)10-17(23)22-11-14-5-7-16(8-6-14)24-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyYZFYGYYNXUQAKH-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933708
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 24584159
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (CID 24646594) is 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is Cc1ccc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is YZFYGYYNXUQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12-3-4-15(9-13(12)2)10-17(23)22-11-14-5-7-16(8-6-14)24-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 24646594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).