N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide

C17H15ClF3NO — CID 17168215

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H15ClF3NO/c1-9-6-10(2)15(11(3)7-9)16(23)22-12-4-5-14(18)13(8-12)17(19,20)21/h4-8H,1-3H3,(H,22,23)
InChIKeySDCVPAWVFJRQMZ-UHFFFAOYSA-N
MW341.76 g/mol
LogP5.54
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide (PubChem CID 17168215) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
PubChem CID17168215
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H15ClF3NO/c1-9-6-10(2)15(11(3)7-9)16(23)22-12-4-5-14(18)13(8-12)17(19,20)21/h4-8H,1-3H3,(H,22,23)
InChIKeySDCVPAWVFJRQMZ-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108953519
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8896388
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]urea
CID 3868756
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide (CID 17168215) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
The InChIKey is SDCVPAWVFJRQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c1-9-6-10(2)15(11(3)7-9)16(23)22-12-4-5-14(18)13(8-12)17(19,20)21/h4-8H,1-3H3,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide has a molecular weight of 341.76 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 17168215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).