3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H24F3N3O2 — CID 27152993

IUPAC3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCN(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H24F3N3O2/c1-3-4-11-27(2)14-19(28)25-17-9-5-7-15(12-17)20(29)26-18-10-6-8-16(13-18)21(22,23)24/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXKOWYRDVQOYVLI-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.63
Rot. Bonds8

About 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 27152993) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID27152993
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCN(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H24F3N3O2/c1-3-4-11-27(2)14-19(28)25-17-9-5-7-15(12-17)20(29)26-18-10-6-8-16(13-18)21(22,23)24/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXKOWYRDVQOYVLI-UHFFFAOYSA-N
XLogP4.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)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

3-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 37212825
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 27152993) is 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CCCCN(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XKOWYRDVQOYVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-3-4-11-27(2)14-19(28)25-17-9-5-7-15(12-17)20(29)26-18-10-6-8-16(13-18)21(22,23)24/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 407.44 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 27152993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).