N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

C15H13F4NO3 — CID 19457280

IUPACN-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C15H13F4NO3/c1-7(2)20-15(21)11-4-3-8(23-11)6-22-14-12(18)9(16)5-10(17)13(14)19/h3-5,7H,6H2,1-2H3,(H,20,21)
InChIKeyICUJGUUBIRKXTO-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.55
Rot. Bonds5

About N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19457280) has the molecular formula C15H13F4NO3 and a molecular weight of 331.27 g/mol. Its IUPAC name is N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19457280
Molecular FormulaC15H13F4NO3
Molecular Weight331.27 g/mol
Exact Mass331.08
IUPAC NameN-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C15H13F4NO3/c1-7(2)20-15(21)11-4-3-8(23-11)6-22-14-12(18)9(16)5-10(17)13(14)19/h3-5,7H,6H2,1-2H3,(H,20,21)
InChIKeyICUJGUUBIRKXTO-UHFFFAOYSA-N
XLogP3.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457368
N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457206
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 2165261
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461453
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19336643
N-(4-ethoxy-2-nitrophenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457263
N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19332332
N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 3242441
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19453386
5-[(4-tert-butylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19450727

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (CID 19457280) is N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is CC(C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is ICUJGUUBIRKXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3/c1-7(2)20-15(21)11-4-3-8(23-11)6-22-14-12(18)9(16)5-10(17)13(14)19/h3-5,7H,6H2,1-2H3,(H,20,21).
What are the key properties of N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 331.27 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19457280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).