3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide

C26H27F3N4O2 — CID 166997504

IUPAC3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide
SMILESCC(c1ccc(C(=O)NCc2c(F)cc(F)cc2F)cc1N(C)Cc1ccc(N)cc1)N(C)C=O
InChIInChI=1S/C26H27F3N4O2/c1-16(33(3)15-34)21-9-6-18(10-25(21)32(2)14-17-4-7-20(30)8-5-17)26(35)31-13-22-23(28)11-19(27)12-24(22)29/h4-12,15-16H,13-14,30H2,1-3H3,(H,31,35)
InChIKeyOPHDFLDWCMTPRW-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.40
Rot. Bonds9

About 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide

3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide (PubChem CID 166997504) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide
PubChem CID166997504
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide
SMILESCC(c1ccc(C(=O)NCc2c(F)cc(F)cc2F)cc1N(C)Cc1ccc(N)cc1)N(C)C=O
InChIInChI=1S/C26H27F3N4O2/c1-16(33(3)15-34)21-9-6-18(10-25(21)32(2)14-17-4-7-20(30)8-5-17)26(35)31-13-22-23(28)11-19(27)12-24(22)29/h4-12,15-16H,13-14,30H2,1-3H3,(H,31,35)
InChIKeyOPHDFLDWCMTPRW-UHFFFAOYSA-N
XLogP4.40
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide?
The IUPAC name of 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide (CID 166997504) is 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide?
The canonical SMILES for 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide is CC(c1ccc(C(=O)NCc2c(F)cc(F)cc2F)cc1N(C)Cc1ccc(N)cc1)N(C)C=O.
What is the InChIKey of 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide?
The InChIKey is OPHDFLDWCMTPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-16(33(3)15-34)21-9-6-18(10-25(21)32(2)14-17-4-7-20(30)8-5-17)26(35)31-13-22-23(28)11-19(27)12-24(22)29/h4-12,15-16H,13-14,30H2,1-3H3,(H,31,35).
What are the key properties of 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide?
3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide has a molecular weight of 484.52 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl-methylamino]-4-[1-[formyl(methyl)amino]ethyl]-N-[(2,4,6-trifluorophenyl)methyl]benzamide is sourced from PubChem (CID 166997504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).