N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide

C12H9BrFNO2 — CID 103274678

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1ccco1
InChIInChI=1S/C12H9BrFNO2/c1-7-5-9(14)8(13)6-10(7)15-12(16)11-3-2-4-17-11/h2-6H,1H3,(H,15,16)
InChIKeyFBTDRGFAJNGROE-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.74
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide (PubChem CID 103274678) has the molecular formula C12H9BrFNO2 and a molecular weight of 298.11 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
PubChem CID103274678
Molecular FormulaC12H9BrFNO2
Molecular Weight298.11 g/mol
Exact Mass296.98
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1ccco1
InChIInChI=1S/C12H9BrFNO2/c1-7-5-9(14)8(13)6-10(7)15-12(16)11-3-2-4-17-11/h2-6H,1H3,(H,15,16)
InChIKeyFBTDRGFAJNGROE-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-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 107593473
(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 103274604
N-(2-bromo-4,6-difluorophenyl)furan-2-carboxamide
CID 1244098
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide (CID 103274678) is N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1ccco1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is FBTDRGFAJNGROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2/c1-7-5-9(14)8(13)6-10(7)15-12(16)11-3-2-4-17-11/h2-6H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-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-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 103274678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).