5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide

C21H18BrFN2O3 — CID 55791443

IUPAC5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C21H18BrFN2O3/c1-25(21(27)18-10-11-19(22)28-18)17-9-5-3-7-15(17)20(26)24-13-12-14-6-2-4-8-16(14)23/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyYBKDVQPKKIKEGN-UHFFFAOYSA-N
MW445.29 g/mol
LogP4.43
Rot. Bonds6

About 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide (PubChem CID 55791443) has the molecular formula C21H18BrFN2O3 and a molecular weight of 445.29 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
PubChem CID55791443
Molecular FormulaC21H18BrFN2O3
Molecular Weight445.29 g/mol
Exact Mass444.05
IUPAC Name5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C21H18BrFN2O3/c1-25(21(27)18-10-11-19(22)28-18)17-9-5-3-7-15(17)20(26)24-13-12-14-6-2-4-8-16(14)23/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyYBKDVQPKKIKEGN-UHFFFAOYSA-N
XLogP4.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide (CID 55791443) is 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCc1ccccc1F.
What is the InChIKey of 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is YBKDVQPKKIKEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3/c1-25(21(27)18-10-11-19(22)28-18)17-9-5-3-7-15(17)20(26)24-13-12-14-6-2-4-8-16(14)23/h2-11H,12-13H2,1H3,(H,24,26).
What are the key properties of 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 445.29 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55791443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).