N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide

C17H16BrN3O2 — CID 4787427

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H16BrN3O2/c1-21(10-11-23-13-8-6-12(18)7-9-13)17(22)16-14-4-2-3-5-15(14)19-20-16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeySJGGRTVLCWYUAJ-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide

N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 4787427) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID4787427
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H16BrN3O2/c1-21(10-11-23-13-8-6-12(18)7-9-13)17(22)16-14-4-2-3-5-15(14)19-20-16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeySJGGRTVLCWYUAJ-UHFFFAOYSA-N
XLogP3.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-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-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-(3-amino-4-methylpentyl)-N-methyl-1H-indazole-3-carboxamide
CID 81484244
N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63239690
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 26826397

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide (CID 4787427) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is SJGGRTVLCWYUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-21(10-11-23-13-8-6-12(18)7-9-13)17(22)16-14-4-2-3-5-15(14)19-20-16/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 4787427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).