2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide

C12H6BrFN2O2 — CID 106852092

IUPAC2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1ccoc1Br
InChIInChI=1S/C12H6BrFN2O2/c13-11-7(4-5-18-11)12(17)16-10-3-1-2-9(14)8(10)6-15/h1-5H,(H,16,17)
InChIKeyTYXZWTFGKWOHCX-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.31
Rot. Bonds2

About 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide

2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide (PubChem CID 106852092) has the molecular formula C12H6BrFN2O2 and a molecular weight of 309.09 g/mol. Its IUPAC name is 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
PubChem CID106852092
Molecular FormulaC12H6BrFN2O2
Molecular Weight309.09 g/mol
Exact Mass307.96
IUPAC Name2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1ccoc1Br
InChIInChI=1S/C12H6BrFN2O2/c13-11-7(4-5-18-11)12(17)16-10-3-1-2-9(14)8(10)6-15/h1-5H,(H,16,17)
InChIKeyTYXZWTFGKWOHCX-UHFFFAOYSA-N
XLogP3.31
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
2-bromo-N-(2-cyano-3-fluorophenyl)-5-sulfanylbenzamide
CID 107023196
N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
CID 43580325
2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
CID 107799208
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103826905
2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 43580467
2-bromo-N-(2-iodophenyl)furan-3-carboxamide
CID 106852274
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
2-bromo-N-(2,3-dichlorophenyl)furan-3-carboxamide
CID 106852540

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide (CID 106852092) is 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide is N#Cc1c(F)cccc1NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide?
The InChIKey is TYXZWTFGKWOHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O2/c13-11-7(4-5-18-11)12(17)16-10-3-1-2-9(14)8(10)6-15/h1-5H,(H,16,17).
What are the key properties of 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide?
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide has a molecular weight of 309.09 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide is sourced from PubChem (CID 106852092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).