N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

C18H10F5NO4 — CID 19459728

IUPACN-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H10F5NO4/c19-12-13(20)15(22)17(16(23)14(12)21)27-7-8-5-6-11(28-8)18(26)24-9-3-1-2-4-10(9)25/h1-6,25H,7H2,(H,24,26)
InChIKeyIDEACTAFHIODTL-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.51
Rot. Bonds5

About N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19459728) has the molecular formula C18H10F5NO4 and a molecular weight of 399.27 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19459728
Molecular FormulaC18H10F5NO4
Molecular Weight399.27 g/mol
Exact Mass399.05
IUPAC NameN-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H10F5NO4/c19-12-13(20)15(22)17(16(23)14(12)21)27-7-8-5-6-11(28-8)18(26)24-9-3-1-2-4-10(9)25/h1-6,25H,7H2,(H,24,26)
InChIKeyIDEACTAFHIODTL-UHFFFAOYSA-N
XLogP4.51
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459751
N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 3242441
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19465854
1-ethyl-4-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19404728
N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461448
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 19458809
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19285971
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (CID 19459728) is N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccccc1O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is IDEACTAFHIODTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5NO4/c19-12-13(20)15(22)17(16(23)14(12)21)27-7-8-5-6-11(28-8)18(26)24-9-3-1-2-4-10(9)25/h1-6,25H,7H2,(H,24,26).
What are the key properties of N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 399.27 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19459728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).