N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide

C17H18FNO4 — CID 86998252

IUPACN-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide
SMILESCOc1cc(F)ccc1NC(=O)COCCOc1ccccc1
InChIInChI=1S/C17H18FNO4/c1-21-16-11-13(18)7-8-15(16)19-17(20)12-22-9-10-23-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyIXDBDUQQHBWKOG-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.87
Rot. Bonds8

About N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide

N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide (PubChem CID 86998252) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide
PubChem CID86998252
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide
SMILESCOc1cc(F)ccc1NC(=O)COCCOc1ccccc1
InChIInChI=1S/C17H18FNO4/c1-21-16-11-13(18)7-8-15(16)19-17(20)12-22-9-10-23-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyIXDBDUQQHBWKOG-UHFFFAOYSA-N
XLogP2.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.87
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

3,4-dimethoxy-5-[[2-(2-phenoxyethoxy)acetyl]amino]benzoic acid
CID 119214155
2-(2-phenoxyethoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 55759707
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
N-(4-fluoro-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87000961
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 86988561
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide
CID 75443246
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide (CID 86998252) is N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide is COc1cc(F)ccc1NC(=O)COCCOc1ccccc1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide?
The InChIKey is IXDBDUQQHBWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-16-11-13(18)7-8-15(16)19-17(20)12-22-9-10-23-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide?
N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide has a molecular weight of 319.33 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 86998252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).