2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide

C18H18F3NO2 — CID 113101359

IUPAC2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
SMILESCc1cc(C)c(OCCNC(=O)c2ccc(F)c(F)c2F)c(C)c1
InChIInChI=1S/C18H18F3NO2/c1-10-8-11(2)17(12(3)9-10)24-7-6-22-18(23)13-4-5-14(19)16(21)15(13)20/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)
InChIKeyWKSLVBAEBDUVBK-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.84
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide

2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide (PubChem CID 113101359) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
PubChem CID113101359
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
SMILESCc1cc(C)c(OCCNC(=O)c2ccc(F)c(F)c2F)c(C)c1
InChIInChI=1S/C18H18F3NO2/c1-10-8-11(2)17(12(3)9-10)24-7-6-22-18(23)13-4-5-14(19)16(21)15(13)20/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)
InChIKeyWKSLVBAEBDUVBK-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide 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

2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
CID 113101342
N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108542898
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
CID 39447567
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide (CID 113101359) is 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide is Cc1cc(C)c(OCCNC(=O)c2ccc(F)c(F)c2F)c(C)c1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide?
The InChIKey is WKSLVBAEBDUVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-10-8-11(2)17(12(3)9-10)24-7-6-22-18(23)13-4-5-14(19)16(21)15(13)20/h4-5,8-9H,6-7H2,1-3H3,(H,22,23).
What are the key properties of 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide has a molecular weight of 337.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113101359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).