5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide

C17H20FNO4 — CID 111695820

IUPAC5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H20FNO4/c1-12(20)9-10-19(2)17(21)16-8-7-15(23-16)11-22-14-5-3-13(18)4-6-14/h3-8,12,20H,9-11H2,1-2H3
InChIKeyUDQINYVHDWWBCE-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.84
Rot. Bonds7

About 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide (PubChem CID 111695820) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
PubChem CID111695820
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H20FNO4/c1-12(20)9-10-19(2)17(21)16-8-7-15(23-16)11-22-14-5-3-13(18)4-6-14/h3-8,12,20H,9-11H2,1-2H3
InChIKeyUDQINYVHDWWBCE-UHFFFAOYSA-N
XLogP2.84
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119652390
N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
5-(methoxymethyl)-N-methyl-N-(3-methylbutyl)furan-2-carboxamide
CID 78853341
3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119190923
N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 55903829
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxyphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 86832598
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451842

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide (CID 111695820) is 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide is CC(O)CCN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
The InChIKey is UDQINYVHDWWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c1-12(20)9-10-19(2)17(21)16-8-7-15(23-16)11-22-14-5-3-13(18)4-6-14/h3-8,12,20H,9-11H2,1-2H3.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 111695820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).