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

C18H11Br2N3O2 — CID 2350978

IUPACN-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
SMILESN#Cc1ccccc1NC(=O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C18H11Br2N3O2/c19-13-8-14(20)18(17-12(13)5-3-7-22-17)25-10-16(24)23-15-6-2-1-4-11(15)9-21/h1-8H,10H2,(H,23,24)
InChIKeyBZSRLWRYILGATR-UHFFFAOYSA-N
MW461.11 g/mol
LogP4.65
Rot. Bonds4

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

N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide (PubChem CID 2350978) has the molecular formula C18H11Br2N3O2 and a molecular weight of 461.11 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
PubChem CID2350978
Molecular FormulaC18H11Br2N3O2
Molecular Weight461.11 g/mol
Exact Mass458.92
IUPAC NameN-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
SMILESN#Cc1ccccc1NC(=O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C18H11Br2N3O2/c19-13-8-14(20)18(17-12(13)5-3-7-22-17)25-10-16(24)23-15-6-2-1-4-11(15)9-21/h1-8H,10H2,(H,23,24)
InChIKeyBZSRLWRYILGATR-UHFFFAOYSA-N
XLogP4.65
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.11
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide (CID 2350978) is N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide is N#Cc1ccccc1NC(=O)COc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
The InChIKey is BZSRLWRYILGATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2N3O2/c19-13-8-14(20)18(17-12(13)5-3-7-22-17)25-10-16(24)23-15-6-2-1-4-11(15)9-21/h1-8H,10H2,(H,23,24).
What are the key properties of N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide?
N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide has a molecular weight of 461.11 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 2350978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).