4-bromo-N-(5-fluoroquinolin-8-yl)benzamide

C16H10BrFN2O — CID 138983557

IUPAC4-bromo-N-(5-fluoroquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(F)c2cccnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H10BrFN2O/c17-11-5-3-10(4-6-11)16(21)20-14-8-7-13(18)12-2-1-9-19-15(12)14/h1-9H,(H,20,21)
InChIKeyBDILWGXTTCKGPF-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.39
Rot. Bonds2

About 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide

4-bromo-N-(5-fluoroquinolin-8-yl)benzamide (PubChem CID 138983557) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-fluoroquinolin-8-yl)benzamide
PubChem CID138983557
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name4-bromo-N-(5-fluoroquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(F)c2cccnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H10BrFN2O/c17-11-5-3-10(4-6-11)16(21)20-14-8-7-13(18)12-2-1-9-19-15(12)14/h1-9H,(H,20,21)
InChIKeyBDILWGXTTCKGPF-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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Related Compounds

4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
CID 44450288
4-[methyl(nonyl)amino]-N-quinolin-3-ylbenzamide
CID 44450300
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313
4-[hexyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450322
4-[butyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450336
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide (CID 138983557) is 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide is O=C(Nc1ccc(F)c2cccnc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide?
The InChIKey is BDILWGXTTCKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-11-5-3-10(4-6-11)16(21)20-14-8-7-13(18)12-2-1-9-19-15(12)14/h1-9H,(H,20,21).
What are the key properties of 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide?
4-bromo-N-(5-fluoroquinolin-8-yl)benzamide 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 4-bromo-N-(5-fluoroquinolin-8-yl)benzamide is sourced from PubChem (CID 138983557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).