4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide

C23H21F3N2O — CID 27654804

IUPAC4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNCc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C23H21F3N2O/c1-16-8-10-19(11-9-16)22(29)28-21-7-3-5-18(13-21)15-27-14-17-4-2-6-20(12-17)23(24,25)26/h2-13,27H,14-15H2,1H3,(H,28,29)
InChIKeyZBTHAXLLPHOWEW-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.56
Rot. Bonds6

About 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide

4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide (PubChem CID 27654804) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
PubChem CID27654804
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNCc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C23H21F3N2O/c1-16-8-10-19(11-9-16)22(29)28-21-7-3-5-18(13-21)15-27-14-17-4-2-6-20(12-17)23(24,25)26/h2-13,27H,14-15H2,1H3,(H,28,29)
InChIKeyZBTHAXLLPHOWEW-UHFFFAOYSA-N
XLogP5.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]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-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide
CID 17451164
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide (CID 27654804) is 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(CNCc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
The InChIKey is ZBTHAXLLPHOWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/c1-16-8-10-19(11-9-16)22(29)28-21-7-3-5-18(13-21)15-27-14-17-4-2-6-20(12-17)23(24,25)26/h2-13,27H,14-15H2,1H3,(H,28,29).
What are the key properties of 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide has a molecular weight of 398.43 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 27654804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).