N-(6-bromoquinolin-8-yl)-4-fluorobenzamide

C16H10BrFN2O — CID 579404

IUPACN-(6-bromoquinolin-8-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc(Br)cc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C16H10BrFN2O/c17-12-8-11-2-1-7-19-15(11)14(9-12)20-16(21)10-3-5-13(18)6-4-10/h1-9H,(H,20,21)
InChIKeyZTBYEGZKTGEFBB-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.39
Rot. Bonds2

About N-(6-bromoquinolin-8-yl)-4-fluorobenzamide

N-(6-bromoquinolin-8-yl)-4-fluorobenzamide (PubChem CID 579404) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is N-(6-bromoquinolin-8-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromoquinolin-8-yl)-4-fluorobenzamide
PubChem CID579404
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC NameN-(6-bromoquinolin-8-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc(Br)cc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C16H10BrFN2O/c17-12-8-11-2-1-7-19-15(11)14(9-12)20-16(21)10-3-5-13(18)6-4-10/h1-9H,(H,20,21)
InChIKeyZTBYEGZKTGEFBB-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromoquinolin-8-yl)-4-fluorobenzamide?
The IUPAC name of N-(6-bromoquinolin-8-yl)-4-fluorobenzamide (CID 579404) is N-(6-bromoquinolin-8-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(6-bromoquinolin-8-yl)-4-fluorobenzamide?
The canonical SMILES for N-(6-bromoquinolin-8-yl)-4-fluorobenzamide is O=C(Nc1cc(Br)cc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of N-(6-bromoquinolin-8-yl)-4-fluorobenzamide?
The InChIKey is ZTBYEGZKTGEFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-12-8-11-2-1-7-19-15(11)14(9-12)20-16(21)10-3-5-13(18)6-4-10/h1-9H,(H,20,21).
What are the key properties of N-(6-bromoquinolin-8-yl)-4-fluorobenzamide?
N-(6-bromoquinolin-8-yl)-4-fluorobenzamide has a molecular weight of 345.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinolin-8-yl)-4-fluorobenzamide is sourced from PubChem (CID 579404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).