N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide

C20H15BrN4O2 — CID 118712380

IUPACN-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(Br)c1
InChIInChI=1S/C20H15BrN4O2/c21-15-4-2-5-16(13-15)23-19(26)12-14-3-1-6-17(11-14)27-20-8-7-18-22-9-10-25(18)24-20/h1-11,13H,12H2,(H,23,26)
InChIKeyYCNBWXPSKUZPON-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.47
Rot. Bonds5

About N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide

N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide (PubChem CID 118712380) has the molecular formula C20H15BrN4O2 and a molecular weight of 423.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
PubChem CID118712380
Molecular FormulaC20H15BrN4O2
Molecular Weight423.27 g/mol
Exact Mass422.04
IUPAC NameN-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(Br)c1
InChIInChI=1S/C20H15BrN4O2/c21-15-4-2-5-16(13-15)23-19(26)12-14-3-1-6-17(11-14)27-20-8-7-18-22-9-10-25(18)24-20/h1-11,13H,12H2,(H,23,26)
InChIKeyYCNBWXPSKUZPON-UHFFFAOYSA-N
XLogP4.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 60612803
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
CID 146128887
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
N,4-bis(3-bromophenyl)-3-oxobutanamide
CID 159771681
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 46458129
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
CID 55706261
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989587

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide (CID 118712380) is N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide is O=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
The InChIKey is YCNBWXPSKUZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2/c21-15-4-2-5-16(13-15)23-19(26)12-14-3-1-6-17(11-14)27-20-8-7-18-22-9-10-25(18)24-20/h1-11,13H,12H2,(H,23,26).
What are the key properties of N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide has a molecular weight of 423.27 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide is sourced from PubChem (CID 118712380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).