N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide

C23H20BrN3O2 — CID 20877615

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H20BrN3O2/c1-29-21-12-11-18(24)13-17(21)14-25-22(28)15-27-20-10-6-5-9-19(20)23(26-27)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyAIVMEWVLHHLILG-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.79
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide (PubChem CID 20877615) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
PubChem CID20877615
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H20BrN3O2/c1-29-21-12-11-18(24)13-17(21)14-25-22(28)15-27-20-10-6-5-9-19(20)23(26-27)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyAIVMEWVLHHLILG-UHFFFAOYSA-N
XLogP4.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide 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-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-[(5-bromo-2-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167838
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 20932051
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107907
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118569
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide
CID 46294844

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide (CID 20877615) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide is COc1ccc(Br)cc1CNC(=O)Cn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
The InChIKey is AIVMEWVLHHLILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c1-29-21-12-11-18(24)13-17(21)14-25-22(28)15-27-20-10-6-5-9-19(20)23(26-27)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide has a molecular weight of 450.34 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide is sourced from PubChem (CID 20877615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).