N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide

C12H9BrFNO2 — CID 114820853

IUPACN-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Br)co1
InChIInChI=1S/C12H9BrFNO2/c1-7-4-8(6-17-7)12(16)15-11-3-2-9(14)5-10(11)13/h2-6H,1H3,(H,15,16)
InChIKeyNLSJSBQFTMBZJR-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.74
Rot. Bonds2

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

N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide (PubChem CID 114820853) has the molecular formula C12H9BrFNO2 and a molecular weight of 298.11 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
PubChem CID114820853
Molecular FormulaC12H9BrFNO2
Molecular Weight298.11 g/mol
Exact Mass296.98
IUPAC NameN-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Br)co1
InChIInChI=1S/C12H9BrFNO2/c1-7-4-8(6-17-7)12(16)15-11-3-2-9(14)5-10(11)13/h2-6H,1H3,(H,15,16)
InChIKeyNLSJSBQFTMBZJR-UHFFFAOYSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-5-methylfuran-3-carboxamide
CID 114822142
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide (CID 114820853) is N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2Br)co1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide?
The InChIKey is NLSJSBQFTMBZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2/c1-7-4-8(6-17-7)12(16)15-11-3-2-9(14)5-10(11)13/h2-6H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide?
N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide has a molecular weight of 298.11 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).