N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide

C13H11BrFNO2 — CID 65431807

IUPACN-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)c(F)c2)c(C)o1
InChIInChI=1S/C13H11BrFNO2/c1-7-5-10(8(2)18-7)13(17)16-9-3-4-11(14)12(15)6-9/h3-6H,1-2H3,(H,16,17)
InChIKeyLUEIYMREEFPCKR-UHFFFAOYSA-N
MW312.14 g/mol
LogP4.05
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide

N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 65431807) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID65431807
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC NameN-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)c(F)c2)c(C)o1
InChIInChI=1S/C13H11BrFNO2/c1-7-5-10(8(2)18-7)13(17)16-9-3-4-11(14)12(15)6-9/h3-6H,1-2H3,(H,16,17)
InChIKeyLUEIYMREEFPCKR-UHFFFAOYSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(4-bromo-3-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113241584
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
[4-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl] thiocyanate
CID 16648737
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide (CID 65431807) is N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)c(F)c2)c(C)o1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LUEIYMREEFPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-7-5-10(8(2)18-7)13(17)16-9-3-4-11(14)12(15)6-9/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 312.14 g/mol, XLogP of 4.05, 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)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 65431807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).