2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide

C21H25FN2O3 — CID 108538669

IUPAC2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C21H25FN2O3/c1-14-4-5-15(2)21(16(14)3)27-13-20(26)24-11-10-23-19(25)12-17-6-8-18(22)9-7-17/h4-9H,10-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWDCVSAYKTMTAMA-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.60
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide (PubChem CID 108538669) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
PubChem CID108538669
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C21H25FN2O3/c1-14-4-5-15(2)21(16(14)3)27-13-20(26)24-11-10-23-19(25)12-17-6-8-18(22)9-7-17/h4-9H,10-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWDCVSAYKTMTAMA-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide (CID 108538669) is 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide is Cc1ccc(C)c(OCC(=O)NCCNC(=O)Cc2ccc(F)cc2)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is WDCVSAYKTMTAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14-4-5-15(2)21(16(14)3)27-13-20(26)24-11-10-23-19(25)12-17-6-8-18(22)9-7-17/h4-9H,10-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 108538669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).