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

C18H8ClF6NO3 — CID 3242441

IUPACN-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H8ClF6NO3/c19-7-1-3-10(9(20)5-7)26-18(27)11-4-2-8(29-11)6-28-17-15(24)13(22)12(21)14(23)16(17)25/h1-5H,6H2,(H,26,27)
InChIKeyIVCNKRXNAIYUKI-UHFFFAOYSA-N
MW435.71 g/mol
LogP5.60
Rot. Bonds5

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

N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 3242441) has the molecular formula C18H8ClF6NO3 and a molecular weight of 435.71 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID3242441
Molecular FormulaC18H8ClF6NO3
Molecular Weight435.71 g/mol
Exact Mass435.01
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H8ClF6NO3/c19-7-1-3-10(9(20)5-7)26-18(27)11-4-2-8(29-11)6-28-17-15(24)13(22)12(21)14(23)16(17)25/h1-5H,6H2,(H,26,27)
InChIKeyIVCNKRXNAIYUKI-UHFFFAOYSA-N
XLogP5.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.71
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459728
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19465854
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19283770
N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461448
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461476
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
N-ethyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457368

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (CID 3242441) is N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is IVCNKRXNAIYUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8ClF6NO3/c19-7-1-3-10(9(20)5-7)26-18(27)11-4-2-8(29-11)6-28-17-15(24)13(22)12(21)14(23)16(17)25/h1-5H,6H2,(H,26,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 435.71 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 3242441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).