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

C20H12ClF6NO3 — CID 19120148

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
SMILESO=C(COc1c(F)c(F)c(F)c(F)c1F)N(Cc1ccco1)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H12ClF6NO3/c21-12-4-1-5-13(22)11(12)8-28(7-10-3-2-6-30-10)14(29)9-31-20-18(26)16(24)15(23)17(25)19(20)27/h1-6H,7-9H2
InChIKeyUIIFDWBUHNKXJD-UHFFFAOYSA-N
MW463.76 g/mol
LogP5.38
Rot. Bonds7

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

N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide (PubChem CID 19120148) has the molecular formula C20H12ClF6NO3 and a molecular weight of 463.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
PubChem CID19120148
Molecular FormulaC20H12ClF6NO3
Molecular Weight463.76 g/mol
Exact Mass463.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
SMILESO=C(COc1c(F)c(F)c(F)c(F)c1F)N(Cc1ccco1)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H12ClF6NO3/c21-12-4-1-5-13(22)11(12)8-28(7-10-3-2-6-30-10)14(29)9-31-20-18(26)16(24)15(23)17(25)19(20)27/h1-6H,7-9H2
InChIKeyUIIFDWBUHNKXJD-UHFFFAOYSA-N
XLogP5.38
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.76
LogP ≤ 55.38
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide (CID 19120148) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide is O=C(COc1c(F)c(F)c(F)c(F)c1F)N(Cc1ccco1)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide?
The InChIKey is UIIFDWBUHNKXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF6NO3/c21-12-4-1-5-13(22)11(12)8-28(7-10-3-2-6-30-10)14(29)9-31-20-18(26)16(24)15(23)17(25)19(20)27/h1-6H,7-9H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide has a molecular weight of 463.76 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide is sourced from PubChem (CID 19120148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).