N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 27859219

IUPACN-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO2/c1-12-3-2-4-15(11-12)23-10-9-21-16(22)13-5-7-14(8-6-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyHUJLEJGMPALSAG-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 27859219) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID27859219
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO2/c1-12-3-2-4-15(11-12)23-10-9-21-16(22)13-5-7-14(8-6-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyHUJLEJGMPALSAG-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)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

4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880382
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide (CID 27859219) is N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide is Cc1cccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HUJLEJGMPALSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-12-3-2-4-15(11-12)23-10-9-21-16(22)13-5-7-14(8-6-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 27859219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).