N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide

C18H20FNO4 — CID 113101954

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2cccc(F)c2)c1OC
InChIInChI=1S/C18H20FNO4/c1-22-15-7-4-8-16(18(15)23-2)24-10-9-20-17(21)12-13-5-3-6-14(19)11-13/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyZLCDGYCFUGZDEW-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.58
Rot. Bonds8

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

N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113101954) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113101954
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2cccc(F)c2)c1OC
InChIInChI=1S/C18H20FNO4/c1-22-15-7-4-8-16(18(15)23-2)24-10-9-20-17(21)12-13-5-3-6-14(19)11-13/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyZLCDGYCFUGZDEW-UHFFFAOYSA-N
XLogP2.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
N-[2-(2-fluorophenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 4963716
2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
CID 113101961
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide (CID 113101954) is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide is COc1cccc(OCCNC(=O)Cc2cccc(F)c2)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is ZLCDGYCFUGZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-15-7-4-8-16(18(15)23-2)24-10-9-20-17(21)12-13-5-3-6-14(19)11-13/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113101954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).