N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide

C24H23F2NO4 — CID 43060292

IUPACN-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
SMILESCOc1ccc(CC(NC(=O)COc2ccc(F)cc2F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23F2NO4/c1-29-19-8-3-16(4-9-19)13-22(17-5-10-20(30-2)11-6-17)27-24(28)15-31-23-12-7-18(25)14-21(23)26/h3-12,14,22H,13,15H2,1-2H3,(H,27,28)
InChIKeyJCMXOEOOLAHWBG-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.46
Rot. Bonds9

About N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide

N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide (PubChem CID 43060292) has the molecular formula C24H23F2NO4 and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
PubChem CID43060292
Molecular FormulaC24H23F2NO4
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC NameN-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
SMILESCOc1ccc(CC(NC(=O)COc2ccc(F)cc2F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23F2NO4/c1-29-19-8-3-16(4-9-19)13-22(17-5-10-20(30-2)11-6-17)27-24(28)15-31-23-12-7-18(25)14-21(23)26/h3-12,14,22H,13,15H2,1-2H3,(H,27,28)
InChIKeyJCMXOEOOLAHWBG-UHFFFAOYSA-N
XLogP4.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide?
The IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide (CID 43060292) is N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide?
The canonical SMILES for N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide is COc1ccc(CC(NC(=O)COc2ccc(F)cc2F)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide?
The InChIKey is JCMXOEOOLAHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO4/c1-29-19-8-3-16(4-9-19)13-22(17-5-10-20(30-2)11-6-17)27-24(28)15-31-23-12-7-18(25)14-21(23)26/h3-12,14,22H,13,15H2,1-2H3,(H,27,28).
What are the key properties of N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide?
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide has a molecular weight of 427.45 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide is sourced from PubChem (CID 43060292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).