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

C18H19F4NO3 — CID 19457206

IUPACN-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C18H19F4NO3/c1-2-3-4-5-8-23-18(24)14-7-6-11(26-14)10-25-17-15(21)12(19)9-13(20)16(17)22/h6-7,9H,2-5,8,10H2,1H3,(H,23,24)
InChIKeyPILFUGCPMWLVIC-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.73
Rot. Bonds9

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

N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19457206) has the molecular formula C18H19F4NO3 and a molecular weight of 373.35 g/mol. Its IUPAC name is N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19457206
Molecular FormulaC18H19F4NO3
Molecular Weight373.35 g/mol
Exact Mass373.13
IUPAC NameN-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C18H19F4NO3/c1-2-3-4-5-8-23-18(24)14-7-6-11(26-14)10-25-17-15(21)12(19)9-13(20)16(17)22/h6-7,9H,2-5,8,10H2,1H3,(H,23,24)
InChIKeyPILFUGCPMWLVIC-UHFFFAOYSA-N
XLogP4.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19332332
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457280
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19452883
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 2165261
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
CID 19465878
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
CID 91730409

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (CID 19457206) is N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is CCCCCCNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is PILFUGCPMWLVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4NO3/c1-2-3-4-5-8-23-18(24)14-7-6-11(26-14)10-25-17-15(21)12(19)9-13(20)16(17)22/h6-7,9H,2-5,8,10H2,1H3,(H,23,24).
What are the key properties of N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 373.35 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19457206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).