4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide

C21H23F3N2O3 — CID 56511907

IUPAC4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c1-4-26(14-16-5-9-17(10-6-16)20(28)25(2)3)19(27)13-15-7-11-18(12-8-15)29-21(22,23)24/h5-12H,4,13-14H2,1-3H3
InChIKeyMHWQOAFRQUHABV-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.88
Rot. Bonds7

About 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511907) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID56511907
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c1-4-26(14-16-5-9-17(10-6-16)20(28)25(2)3)19(27)13-15-7-11-18(12-8-15)29-21(22,23)24/h5-12H,4,13-14H2,1-3H3
InChIKeyMHWQOAFRQUHABV-UHFFFAOYSA-N
XLogP3.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide 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-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111596763
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94186944
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 119585098
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
N-benzyl-N-ethyl-2-[[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111599581
N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide
CID 32523241
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 94810071
N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55761591
4-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]-N,N-diethylbenzamide
CID 111048294

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide (CID 56511907) is 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is MHWQOAFRQUHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-4-26(14-16-5-9-17(10-6-16)20(28)25(2)3)19(27)13-15-7-11-18(12-8-15)29-21(22,23)24/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 408.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).