N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide

C16H9BrCl2N2O — CID 35286890

IUPACN-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9BrCl2N2O/c17-10-6-7-13(15-9(10)3-2-8-20-15)21-16(22)14-11(18)4-1-5-12(14)19/h1-8H,(H,21,22)
InChIKeyGDFWFHBUOMUJCU-UHFFFAOYSA-N
MW396.07 g/mol
LogP5.56
Rot. Bonds2

About N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide

N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide (PubChem CID 35286890) has the molecular formula C16H9BrCl2N2O and a molecular weight of 396.07 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
PubChem CID35286890
Molecular FormulaC16H9BrCl2N2O
Molecular Weight396.07 g/mol
Exact Mass393.93
IUPAC NameN-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9BrCl2N2O/c17-10-6-7-13(15-9(10)3-2-8-20-15)21-16(22)14-11(18)4-1-5-12(14)19/h1-8H,(H,21,22)
InChIKeyGDFWFHBUOMUJCU-UHFFFAOYSA-N
XLogP5.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.07
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromoquinolin-8-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269826
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628
4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
CID 78915812
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
CID 19592406
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592886
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide (CID 35286890) is N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide is O=C(Nc1ccc(Br)c2cccnc12)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide?
The InChIKey is GDFWFHBUOMUJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2N2O/c17-10-6-7-13(15-9(10)3-2-8-20-15)21-16(22)14-11(18)4-1-5-12(14)19/h1-8H,(H,21,22).
What are the key properties of N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide?
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide has a molecular weight of 396.07 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide is sourced from PubChem (CID 35286890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).