3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide

C18H16BrN3O3 — CID 4286470

IUPAC3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)CCOc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H16BrN3O3/c1-11-5-6-15-14(9-11)17(18(24)20-15)22-21-16(23)7-8-25-13-4-2-3-12(19)10-13/h2-6,9-10,20,24H,7-8H2,1H3/b22-21+
InChIKeyPOKPPFKAWCHPOS-QURGRASLSA-N
MW402.25 g/mol
LogP5.02
Rot. Bonds5

About 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide

3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide (PubChem CID 4286470) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide
PubChem CID4286470
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)CCOc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H16BrN3O3/c1-11-5-6-15-14(9-11)17(18(24)20-15)22-21-16(23)7-8-25-13-4-2-3-12(19)10-13/h2-6,9-10,20,24H,7-8H2,1H3/b22-21+
InChIKeyPOKPPFKAWCHPOS-QURGRASLSA-N
XLogP5.02
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.25
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 1043453
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide
CID 136544251
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135557715
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxo-3H-indol-1-yl)acetamide
CID 167527216

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide (CID 4286470) is 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide is Cc1ccc2[nH]c(O)c(/N=N/C(=O)CCOc3cccc(Br)c3)c2c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide?
The InChIKey is POKPPFKAWCHPOS-QURGRASLSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-11-5-6-15-14(9-11)17(18(24)20-15)22-21-16(23)7-8-25-13-4-2-3-12(19)10-13/h2-6,9-10,20,24H,7-8H2,1H3/b22-21+.
What are the key properties of 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide?
3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide has a molecular weight of 402.25 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide is sourced from PubChem (CID 4286470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).