N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide

C21H20Br2N2O2 — CID 23880408

IUPACN-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
SMILESCCCCc1ccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1
InChIInChI=1S/C21H20Br2N2O2/c1-2-3-5-14-7-9-15(10-8-14)25-19(26)13-27-21-18(23)12-17(22)16-6-4-11-24-20(16)21/h4,6-12H,2-3,5,13H2,1H3,(H,25,26)
InChIKeySEUXLYXZHQWNFK-UHFFFAOYSA-N
MW492.21 g/mol
LogP6.12
Rot. Bonds7

About N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide

N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide (PubChem CID 23880408) has the molecular formula C21H20Br2N2O2 and a molecular weight of 492.21 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
PubChem CID23880408
Molecular FormulaC21H20Br2N2O2
Molecular Weight492.21 g/mol
Exact Mass489.99
IUPAC NameN-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
SMILESCCCCc1ccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1
InChIInChI=1S/C21H20Br2N2O2/c1-2-3-5-14-7-9-15(10-8-14)25-19(26)13-27-21-18(23)12-17(22)16-6-4-11-24-20(16)21/h4,6-12H,2-3,5,13H2,1H3,(H,25,26)
InChIKeySEUXLYXZHQWNFK-UHFFFAOYSA-N
XLogP6.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.21
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 23767883
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417
methyl 2-[2-(4-butylanilino)-2-oxoethoxy]benzoate
CID 7764225
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788208
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide
CID 23737405
[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2356450

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide (CID 23880408) is N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide is CCCCc1ccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
The InChIKey is SEUXLYXZHQWNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Br2N2O2/c1-2-3-5-14-7-9-15(10-8-14)25-19(26)13-27-21-18(23)12-17(22)16-6-4-11-24-20(16)21/h4,6-12H,2-3,5,13H2,1H3,(H,25,26).
What are the key properties of N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide has a molecular weight of 492.21 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 23880408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).