2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide

C18H16BrN3O3 — CID 1381459

IUPAC2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide
SMILESCc1cccc2c(/N=N/C(=O)COc3cccc(Br)c3)c(O)n(C)c12
InChIInChI=1S/C18H16BrN3O3/c1-11-5-3-8-14-16(18(24)22(2)17(11)14)21-20-15(23)10-25-13-7-4-6-12(19)9-13/h3-9,24H,10H2,1-2H3/b21-20+
InChIKeyYCZZFNPSKRTXPN-QZQOTICOSA-N
MW402.25 g/mol
LogP4.64
Rot. Bonds4

About 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide

2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide (PubChem CID 1381459) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide
PubChem CID1381459
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide
SMILESCc1cccc2c(/N=N/C(=O)COc3cccc(Br)c3)c(O)n(C)c12
InChIInChI=1S/C18H16BrN3O3/c1-11-5-3-8-14-16(18(24)22(2)17(11)14)21-20-15(23)10-25-13-7-4-6-12(19)9-13/h3-9,24H,10H2,1-2H3/b21-20+
InChIKeyYCZZFNPSKRTXPN-QZQOTICOSA-N
XLogP4.64
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide 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 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide (CID 1381459) is 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide is Cc1cccc2c(/N=N/C(=O)COc3cccc(Br)c3)c(O)n(C)c12.
What is the InChIKey of 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
The InChIKey is YCZZFNPSKRTXPN-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-11-5-3-8-14-16(18(24)22(2)17(11)14)21-20-15(23)10-25-13-7-4-6-12(19)9-13/h3-9,24H,10H2,1-2H3/b21-20+.
What are the key properties of 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide has a molecular weight of 402.25 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide is sourced from PubChem (CID 1381459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).