5-bromo-2-phenyl-N-quinolin-8-ylbenzamide

C22H15BrN2O — CID 102098496

IUPAC5-bromo-2-phenyl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C22H15BrN2O/c23-17-11-12-18(15-6-2-1-3-7-15)19(14-17)22(26)25-20-10-4-8-16-9-5-13-24-21(16)20/h1-14H,(H,25,26)
InChIKeyFYLFTBSZVKDYKL-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.92
Rot. Bonds3

About 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide

5-bromo-2-phenyl-N-quinolin-8-ylbenzamide (PubChem CID 102098496) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-phenyl-N-quinolin-8-ylbenzamide
PubChem CID102098496
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC Name5-bromo-2-phenyl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C22H15BrN2O/c23-17-11-12-18(15-6-2-1-3-7-15)19(14-17)22(26)25-20-10-4-8-16-9-5-13-24-21(16)20/h1-14H,(H,25,26)
InChIKeyFYLFTBSZVKDYKL-UHFFFAOYSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide (CID 102098496) is 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide?
The InChIKey is FYLFTBSZVKDYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/c23-17-11-12-18(15-6-2-1-3-7-15)19(14-17)22(26)25-20-10-4-8-16-9-5-13-24-21(16)20/h1-14H,(H,25,26).
What are the key properties of 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide?
5-bromo-2-phenyl-N-quinolin-8-ylbenzamide has a molecular weight of 403.28 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 102098496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).