N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide

C19H23FN2O3 — CID 109000540

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
SMILESCOc1ccc(OCCNCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3/c1-24-17-6-8-18(9-7-17)25-13-12-21-14-19(23)22-11-10-15-2-4-16(20)5-3-15/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyHKJWPUJZMNJKKX-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.16
Rot. Bonds10

About N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide (PubChem CID 109000540) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
PubChem CID109000540
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
SMILESCOc1ccc(OCCNCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3/c1-24-17-6-8-18(9-7-17)25-13-12-21-14-19(23)22-11-10-15-2-4-16(20)5-3-15/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyHKJWPUJZMNJKKX-UHFFFAOYSA-N
XLogP2.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide (CID 109000540) is N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide is COc1ccc(OCCNCC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The InChIKey is HKJWPUJZMNJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-24-17-6-8-18(9-7-17)25-13-12-21-14-19(23)22-11-10-15-2-4-16(20)5-3-15/h2-9,21H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide is sourced from PubChem (CID 109000540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).