N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide

C26H24BrN3O2 — CID 3533419

IUPACN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)c(Br)c1
InChIInChI=1S/C26H24BrN3O2/c1-18-12-13-25(23(27)14-18)32-17-26(31)29-28-15-22-19(2)30(16-20-8-4-3-5-9-20)24-11-7-6-10-21(22)24/h3-15H,16-17H2,1-2H3,(H,29,31)
InChIKeyGEJLZOQCWSCCGH-UHFFFAOYSA-N
MW490.40 g/mol
LogP5.60
Rot. Bonds7

About N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide (PubChem CID 3533419) has the molecular formula C26H24BrN3O2 and a molecular weight of 490.40 g/mol. Its IUPAC name is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide
PubChem CID3533419
Molecular FormulaC26H24BrN3O2
Molecular Weight490.40 g/mol
Exact Mass489.11
IUPAC NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)c(Br)c1
InChIInChI=1S/C26H24BrN3O2/c1-18-12-13-25(23(27)14-18)32-17-26(31)29-28-15-22-19(2)30(16-20-8-4-3-5-9-20)24-11-7-6-10-21(22)24/h3-15H,16-17H2,1-2H3,(H,29,31)
InChIKeyGEJLZOQCWSCCGH-UHFFFAOYSA-N
XLogP5.60
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1389645
N-[(E)-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022085
2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 594133
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(E)-[1-[(3-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144118
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-[(Z)-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 126257537
N-[(E)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-phenylpropanamide
CID 25251479
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide (CID 3533419) is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)c(Br)c1.
What is the InChIKey of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide?
The InChIKey is GEJLZOQCWSCCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O2/c1-18-12-13-25(23(27)14-18)32-17-26(31)29-28-15-22-19(2)30(16-20-8-4-3-5-9-20)24-11-7-6-10-21(22)24/h3-15H,16-17H2,1-2H3,(H,29,31).
What are the key properties of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide?
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide has a molecular weight of 490.40 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide is sourced from PubChem (CID 3533419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).