N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide

C18H16BrN3O2 — CID 135489043

IUPACN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H16BrN3O2/c1-12-4-2-3-5-17(12)24-11-18(23)22-21-10-13-9-20-16-7-6-14(19)8-15(13)16/h2-10,20H,11H2,1H3,(H,22,23)/b21-10+
InChIKeyVWARUATZJLYOGB-UFFVCSGVSA-N
MW386.25 g/mol
LogP3.77
Rot. Bonds5

About N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 135489043) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID135489043
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H16BrN3O2/c1-12-4-2-3-5-17(12)24-11-18(23)22-21-10-13-9-20-16-7-6-14(19)8-15(13)16/h2-10,20H,11H2,1H3,(H,22,23)/b21-10+
InChIKeyVWARUATZJLYOGB-UFFVCSGVSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.77
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

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 135730990
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-(4-butylphenoxy)acetamide
CID 4213965
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135688686
[4-bromo-2-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5003474
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
[2,4-dibromo-6-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6090277
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
CID 136700927

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide (CID 135489043) is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is VWARUATZJLYOGB-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-4-2-3-5-17(12)24-11-18(23)22-21-10-13-9-20-16-7-6-14(19)8-15(13)16/h2-10,20H,11H2,1H3,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 135489043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).