N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide

C16H10BrFN2O — CID 65435460

IUPACN-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H10BrFN2O/c17-12-7-6-11(9-13(12)18)19-16(21)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,19,21)
InChIKeyCOZOWDQKWMLWLG-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.39
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide

N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide (PubChem CID 65435460) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
PubChem CID65435460
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC NameN-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H10BrFN2O/c17-12-7-6-11(9-13(12)18)19-16(21)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,19,21)
InChIKeyCOZOWDQKWMLWLG-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-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
CID 79012185
N-(4-bromo-3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 65430131
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
CID 60535331
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide
CID 3981865
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide (CID 65435460) is N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide is O=C(Nc1ccc(Br)c(F)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide?
The InChIKey is COZOWDQKWMLWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-12-7-6-11(9-13(12)18)19-16(21)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,19,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide?
N-(4-bromo-3-fluorophenyl)quinoline-2-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-2-carboxamide is sourced from PubChem (CID 65435460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).