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

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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).