2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide

C21H24ClN3O3 — CID 134806786

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)(C)Oc1nn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C21H24ClN3O3/c1-21(2,20(26)23-11-12-27-3)28-19-17-9-4-5-10-18(17)25(24-19)14-15-7-6-8-16(22)13-15/h4-10,13H,11-12,14H2,1-3H3,(H,23,26)
InChIKeyIQBOTSQOBLYFLG-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.66
Rot. Bonds8

About 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 134806786) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID134806786
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)(C)Oc1nn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C21H24ClN3O3/c1-21(2,20(26)23-11-12-27-3)28-19-17-9-4-5-10-18(17)25(24-19)14-15-7-6-8-16(22)13-15/h4-10,13H,11-12,14H2,1-3H3,(H,23,26)
InChIKeyIQBOTSQOBLYFLG-UHFFFAOYSA-N
XLogP3.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide 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-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 48995254
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 127047644
N-(1-methylindazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155533667
1-[(4-Chlorophenyl)methyl]-3-(3-pyrrolidin-1-ylpropoxy)indazole
CID 46935462
N-Methyl-3-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)-1-propanamine
CID 57369683
US10183913, Example 434
CID 138375380
1H-Indazole, 1-benzyl-6-chloro-3-(3-(dimethylamino)propoxy)-, monohydrochloride
CID 200271
1H-Indazole, 1-(o-chlorobenzyl)-3-(3-(dimethylamino)propoxy)-, monohydrochloride
CID 200437
3-chloro-N-(2-methoxyethyl)-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
CID 16682629
N-(1-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155513499
(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine
CID 155569141
1-Benzyl-3-(3-aminopropoxy)-1H-indazol
CID 10564776

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide (CID 134806786) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide is COCCNC(=O)C(C)(C)Oc1nn(Cc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is IQBOTSQOBLYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-21(2,20(26)23-11-12-27-3)28-19-17-9-4-5-10-18(17)25(24-19)14-15-7-6-8-16(22)13-15/h4-10,13H,11-12,14H2,1-3H3,(H,23,26).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 401.89 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 134806786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).