4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide

C17H17BrN4O2 — CID 135846592

IUPAC4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
SMILESCCCCn1c(O)c(/N=N/C(=O)c2cc(Br)c[nH]2)c2ccccc21
InChIInChI=1S/C17H17BrN4O2/c1-2-3-8-22-14-7-5-4-6-12(14)15(17(22)24)20-21-16(23)13-9-11(18)10-19-13/h4-7,9-10,19,24H,2-3,8H2,1H3/b21-20+
InChIKeyUEUGNTNMXYMIFH-QZQOTICOSA-N
MW389.25 g/mol
LogP5.16
Rot. Bonds5

About 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide

4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide (PubChem CID 135846592) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
PubChem CID135846592
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
SMILESCCCCn1c(O)c(/N=N/C(=O)c2cc(Br)c[nH]2)c2ccccc21
InChIInChI=1S/C17H17BrN4O2/c1-2-3-8-22-14-7-5-4-6-12(14)15(17(22)24)20-21-16(23)13-9-11(18)10-19-13/h4-7,9-10,19,24H,2-3,8H2,1H3/b21-20+
InChIKeyUEUGNTNMXYMIFH-QZQOTICOSA-N
XLogP5.16
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.25
LogP ≤ 55.16
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 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide 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

N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
CID 135754966
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
CID 135726463
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483
2-(4-bromophenyl)-N-(2-hydroxy-5-methyl-1-pentylindol-3-yl)iminoquinoline-4-carboxamide
CID 4502820
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide (CID 135846592) is 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide is CCCCn1c(O)c(/N=N/C(=O)c2cc(Br)c[nH]2)c2ccccc21.
What is the InChIKey of 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide?
The InChIKey is UEUGNTNMXYMIFH-QZQOTICOSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c1-2-3-8-22-14-7-5-4-6-12(14)15(17(22)24)20-21-16(23)13-9-11(18)10-19-13/h4-7,9-10,19,24H,2-3,8H2,1H3/b21-20+.
What are the key properties of 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide?
4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide has a molecular weight of 389.25 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135846592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).