N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide

C19H20F3NO3 — CID 78875284

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H20F3NO3/c1-11-8-16(25-3)17(26-4)10-15(11)12(2)23-18(24)13-6-5-7-14(9-13)19(20,21)22/h5-10,12H,1-4H3,(H,23,24)
InChIKeyZCKQCBIJZOMWHR-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.52
Rot. Bonds5

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 78875284) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID78875284
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H20F3NO3/c1-11-8-16(25-3)17(26-4)10-15(11)12(2)23-18(24)13-6-5-7-14(9-13)19(20,21)22/h5-10,12H,1-4H3,(H,23,24)
InChIKeyZCKQCBIJZOMWHR-UHFFFAOYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(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-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 78875284) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide is COc1cc(C)c(C(C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZCKQCBIJZOMWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-11-8-16(25-3)17(26-4)10-15(11)12(2)23-18(24)13-6-5-7-14(9-13)19(20,21)22/h5-10,12H,1-4H3,(H,23,24).
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 367.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 78875284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).