2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

C19H18BrN3O2 — CID 594133

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2c(C)[nH]c3ccccc23)c(Br)c1
InChIInChI=1S/C19H18BrN3O2/c1-12-7-8-18(16(20)9-12)25-11-19(24)23-21-10-15-13(2)22-17-6-4-3-5-14(15)17/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyLCTNIVFOJXSLGQ-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 594133) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID594133
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2c(C)[nH]c3ccccc23)c(Br)c1
InChIInChI=1S/C19H18BrN3O2/c1-12-7-8-18(16(20)9-12)25-11-19(24)23-21-10-15-13(2)22-17-6-4-3-5-14(15)17/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyLCTNIVFOJXSLGQ-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135419996
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136900787
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3533419
2-(2-bromo-4-methoxyphenoxy)-N-[(2-methyl-6-nitro-1H-indol-3-yl)methylideneamino]acetamide
CID 3099781
2-(2-bromo-4-methylphenoxy)-N-[(Z)-(3,5-dibromo-2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
CID 136791238
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135620342
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (CID 594133) is 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is Cc1ccc(OCC(=O)NN=Cc2c(C)[nH]c3ccccc23)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is LCTNIVFOJXSLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-12-7-8-18(16(20)9-12)25-11-19(24)23-21-10-15-13(2)22-17-6-4-3-5-14(15)17/h3-10,22H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 400.28 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 594133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).