2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide

C24H23FN2O4 — CID 56566186

IUPAC2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N(C)C(C(N)=O)c3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H23FN2O4/c1-16-6-8-20(9-7-16)31-21-12-10-19(11-13-21)30-15-22(28)27(2)23(24(26)29)17-4-3-5-18(25)14-17/h3-14,23H,15H2,1-2H3,(H2,26,29)
InChIKeyMBZWTMNYYOMOEY-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.99
Rot. Bonds8

About 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide

2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide (PubChem CID 56566186) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
PubChem CID56566186
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N(C)C(C(N)=O)c3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H23FN2O4/c1-16-6-8-20(9-7-16)31-21-12-10-19(11-13-21)30-15-22(28)27(2)23(24(26)29)17-4-3-5-18(25)14-17/h3-14,23H,15H2,1-2H3,(H2,26,29)
InChIKeyMBZWTMNYYOMOEY-UHFFFAOYSA-N
XLogP3.99
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide (CID 56566186) is 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide is Cc1ccc(Oc2ccc(OCC(=O)N(C)C(C(N)=O)c3cccc(F)c3)cc2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
The InChIKey is MBZWTMNYYOMOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-16-6-8-20(9-7-16)31-21-12-10-19(11-13-21)30-15-22(28)27(2)23(24(26)29)17-4-3-5-18(25)14-17/h3-14,23H,15H2,1-2H3,(H2,26,29).
What are the key properties of 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide has a molecular weight of 422.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[methyl-[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 56566186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).