N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide

C19H17BrN4O4 — CID 135498012

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
SMILESCOc1ccc(/C(C)=N/OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C19H17BrN4O4/c1-11(12-3-6-14(27-2)7-4-12)24-28-10-17(25)22-23-18-15-9-13(20)5-8-16(15)21-19(18)26/h3-9,21,26H,10H2,1-2H3/b23-22+,24-11+
InChIKeyGMMSBTRWDLEUBP-ZGNXVMAJSA-N
MW445.27 g/mol
LogP4.70
Rot. Bonds6

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide (PubChem CID 135498012) has the molecular formula C19H17BrN4O4 and a molecular weight of 445.27 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
PubChem CID135498012
Molecular FormulaC19H17BrN4O4
Molecular Weight445.27 g/mol
Exact Mass444.04
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
SMILESCOc1ccc(/C(C)=N/OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C19H17BrN4O4/c1-11(12-3-6-14(27-2)7-4-12)24-28-10-17(25)22-23-18-15-9-13(20)5-8-16(15)21-19(18)26/h3-9,21,26H,10H2,1-2H3/b23-22+,24-11+
InChIKeyGMMSBTRWDLEUBP-ZGNXVMAJSA-N
XLogP4.70
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.27
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide 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 N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide (CID 135498012) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide is COc1ccc(/C(C)=N/OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
The InChIKey is GMMSBTRWDLEUBP-ZGNXVMAJSA-N. The full InChI is InChI=1S/C19H17BrN4O4/c1-11(12-3-6-14(27-2)7-4-12)24-28-10-17(25)22-23-18-15-9-13(20)5-8-16(15)21-19(18)26/h3-9,21,26H,10H2,1-2H3/b23-22+,24-11+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide has a molecular weight of 445.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide is sourced from PubChem (CID 135498012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).