N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide

C16H10BrFN2O — CID 79012185

IUPACN-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccnc2ccccc12
InChIInChI=1S/C16H10BrFN2O/c17-13-6-5-10(9-14(13)18)20-16(21)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H,(H,20,21)
InChIKeyZPSXWGPCZRDUDQ-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.39
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide

N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide (PubChem CID 79012185) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
PubChem CID79012185
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC NameN-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccnc2ccccc12
InChIInChI=1S/C16H10BrFN2O/c17-13-6-5-10(9-14(13)18)20-16(21)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H,(H,20,21)
InChIKeyZPSXWGPCZRDUDQ-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

N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
N-(1H-indazol-6-yl)quinoline-4-carboxamide
CID 110694915
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide (CID 79012185) is N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(Br)c(F)c1)c1ccnc2ccccc12.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is ZPSXWGPCZRDUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-13-6-5-10(9-14(13)18)20-16(21)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H,(H,20,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide?
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide 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-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 79012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).