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

C20H12F7NO4 — CID 19461448

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)c(OC(F)F)c1
InChIInChI=1S/C20H12F7NO4/c1-8-2-4-10(12(6-8)32-20(26)27)28-19(29)11-5-3-9(31-11)7-30-18-16(24)14(22)13(21)15(23)17(18)25/h2-6,20H,7H2,1H3,(H,28,29)
InChIKeyCCIFXJWQPBKVIO-UHFFFAOYSA-N
MW463.31 g/mol
LogP5.72
Rot. Bonds7

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

N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19461448) has the molecular formula C20H12F7NO4 and a molecular weight of 463.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19461448
Molecular FormulaC20H12F7NO4
Molecular Weight463.31 g/mol
Exact Mass463.07
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)c(OC(F)F)c1
InChIInChI=1S/C20H12F7NO4/c1-8-2-4-10(12(6-8)32-20(26)27)28-19(29)11-5-3-9(31-11)7-30-18-16(24)14(22)13(21)15(23)17(18)25/h2-6,20H,7H2,1H3,(H,28,29)
InChIKeyCCIFXJWQPBKVIO-UHFFFAOYSA-N
XLogP5.72
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.31
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[(4-acetylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]furan-2-carboxamide
CID 19455292
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
CID 19453001
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416022
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456726
N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 3242441
N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459728
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465916
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459751
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456761
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461491

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (CID 19461448) is N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is CCIFXJWQPBKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F7NO4/c1-8-2-4-10(12(6-8)32-20(26)27)28-19(29)11-5-3-9(31-11)7-30-18-16(24)14(22)13(21)15(23)17(18)25/h2-6,20H,7H2,1H3,(H,28,29).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 463.31 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19461448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).