N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide

C18H20FNO3 — CID 113100619

IUPACN-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCOc1cccc(OCCNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H20FNO3/c1-2-22-15-7-5-8-16(13-15)23-11-10-20-18(21)12-14-6-3-4-9-17(14)19/h3-9,13H,2,10-12H2,1H3,(H,20,21)
InChIKeyLXDIHPGCNLQVFK-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide

N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113100619) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113100619
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCOc1cccc(OCCNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H20FNO3/c1-2-22-15-7-5-8-16(13-15)23-11-10-20-18(21)12-14-6-3-4-9-17(14)19/h3-9,13H,2,10-12H2,1H3,(H,20,21)
InChIKeyLXDIHPGCNLQVFK-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
CID 113100580
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 146022701
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide (CID 113100619) is N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide is CCOc1cccc(OCCNC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is LXDIHPGCNLQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-2-22-15-7-5-8-16(13-15)23-11-10-20-18(21)12-14-6-3-4-9-17(14)19/h3-9,13H,2,10-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113100619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).