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

C16H17BrFNO2 — CID 55607047

IUPAC4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1c(C)oc(C)c1Br
InChIInChI=1S/C16H17BrFNO2/c1-4-19(9-12-6-5-7-13(18)8-12)16(20)14-10(2)21-11(3)15(14)17/h5-8H,4,9H2,1-3H3
InChIKeyNBEISGLEYDHLDD-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.46
Rot. Bonds4

About 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55607047) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55607047
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1c(C)oc(C)c1Br
InChIInChI=1S/C16H17BrFNO2/c1-4-19(9-12-6-5-7-13(18)8-12)16(20)14-10(2)21-11(3)15(14)17/h5-8H,4,9H2,1-3H3
InChIKeyNBEISGLEYDHLDD-UHFFFAOYSA-N
XLogP4.46
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 55607047) is 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1c(C)oc(C)c1Br.
What is the InChIKey of 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NBEISGLEYDHLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-4-19(9-12-6-5-7-13(18)8-12)16(20)14-10(2)21-11(3)15(14)17/h5-8H,4,9H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 354.22 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55607047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).