N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide

C18H18F3NO2 — CID 110287984

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO2/c1-22(12-11-13-3-9-16(24-2)10-4-13)17(23)14-5-7-15(8-6-14)18(19,20)21/h3-10H,11-12H2,1-2H3
InChIKeyPAHFYSUILAGBSA-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide

N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 110287984) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID110287984
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO2/c1-22(12-11-13-3-9-16(24-2)10-4-13)17(23)14-5-7-15(8-6-14)18(19,20)21/h3-10H,11-12H2,1-2H3
InChIKeyPAHFYSUILAGBSA-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-methoxyphenyl)ethyl]-N-methyl-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

N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 42773961
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
N-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 101430804
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095739

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide (CID 110287984) is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide is COc1ccc(CCN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is PAHFYSUILAGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-22(12-11-13-3-9-16(24-2)10-4-13)17(23)14-5-7-15(8-6-14)18(19,20)21/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110287984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).