N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide

C16H10BrFN2O — CID 65429755

IUPACN-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc2ncccc12
InChIInChI=1S/C16H10BrFN2O/c17-13-7-6-10(9-14(13)18)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,(H,20,21)
InChIKeyWEIXJNDQCLNDPE-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.39
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide

N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide (PubChem CID 65429755) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
PubChem CID65429755
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC NameN-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc2ncccc12
InChIInChI=1S/C16H10BrFN2O/c17-13-7-6-10(9-14(13)18)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,(H,20,21)
InChIKeyWEIXJNDQCLNDPE-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-4-carboxamide
CID 79012185
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide (CID 65429755) is N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide is O=C(Nc1ccc(Br)c(F)c1)c1cccc2ncccc12.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide?
The InChIKey is WEIXJNDQCLNDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-13-7-6-10(9-14(13)18)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,(H,20,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide?
N-(4-bromo-3-fluorophenyl)quinoline-5-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-5-carboxamide is sourced from PubChem (CID 65429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).