N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide

C23H28F3N3O3 — CID 91053637

IUPACN-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide
SMILESCCCCNC(=O)c1ccc(CCNC(=O)C(NC)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H28F3N3O3/c1-3-4-14-28-21(30)18-7-5-16(6-8-18)13-15-29-22(31)20(27-2)17-9-11-19(12-10-17)32-23(24,25)26/h5-12,20,27H,3-4,13-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyRWFLGICIBOOTBY-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.73
Rot. Bonds11

About N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide

N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide (PubChem CID 91053637) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide
PubChem CID91053637
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC NameN-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide
SMILESCCCCNC(=O)c1ccc(CCNC(=O)C(NC)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H28F3N3O3/c1-3-4-14-28-21(30)18-7-5-16(6-8-18)13-15-29-22(31)20(27-2)17-9-11-19(12-10-17)32-23(24,25)26/h5-12,20,27H,3-4,13-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyRWFLGICIBOOTBY-UHFFFAOYSA-N
XLogP3.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]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-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
4-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070805
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 21452931
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8661645
4-[3-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-dodecylbenzamide
CID 173223113
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide?
The IUPAC name of N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide (CID 91053637) is N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide?
The canonical SMILES for N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide is CCCCNC(=O)c1ccc(CCNC(=O)C(NC)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide?
The InChIKey is RWFLGICIBOOTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-3-4-14-28-21(30)18-7-5-16(6-8-18)13-15-29-22(31)20(27-2)17-9-11-19(12-10-17)32-23(24,25)26/h5-12,20,27H,3-4,13-15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide?
N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide has a molecular weight of 451.49 g/mol, XLogP of 3.73, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 91053637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).