N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide

C14H13BrFNO2 — CID 47162769

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(Br)ccc2F)c(C)o1
InChIInChI=1S/C14H13BrFNO2/c1-8-5-12(9(2)19-8)14(18)17-7-10-6-11(15)3-4-13(10)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyAYZXLAJJBPUNFG-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.73
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 47162769) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID47162769
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(Br)ccc2F)c(C)o1
InChIInChI=1S/C14H13BrFNO2/c1-8-5-12(9(2)19-8)14(18)17-7-10-6-11(15)3-4-13(10)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyAYZXLAJJBPUNFG-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 47162769) is N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCc2cc(Br)ccc2F)c(C)o1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is AYZXLAJJBPUNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-8-5-12(9(2)19-8)14(18)17-7-10-6-11(15)3-4-13(10)16/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 326.17 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 47162769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).