N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide

C23H22FNO4 — CID 55761188

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C23H22FNO4/c24-19-7-5-11-22(15-19)29-16-18-6-4-8-20(14-18)25-23(26)17-27-12-13-28-21-9-2-1-3-10-21/h1-11,14-15H,12-13,16-17H2,(H,25,26)
InChIKeyBEEUHOLGZOSWKF-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.44
Rot. Bonds10

About N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide

N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 55761188) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID55761188
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C23H22FNO4/c24-19-7-5-11-22(15-19)29-16-18-6-4-8-20(14-18)25-23(26)17-27-12-13-28-21-9-2-1-3-10-21/h1-11,14-15H,12-13,16-17H2,(H,25,26)
InChIKeyBEEUHOLGZOSWKF-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.44
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-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 60513959
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3263920
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide
CID 94806016
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 18207237
2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide
CID 33272400

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide (CID 55761188) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide is O=C(COCCOc1ccccc1)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is BEEUHOLGZOSWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c24-19-7-5-11-22(15-19)29-16-18-6-4-8-20(14-18)25-23(26)17-27-12-13-28-21-9-2-1-3-10-21/h1-11,14-15H,12-13,16-17H2,(H,25,26).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 395.43 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 55761188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).