N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide

C18H18FNO4 — CID 7960384

IUPACN-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO4/c1-2-8-23-16-7-6-13(11-21)17(10-16)24-12-18(22)20-15-5-3-4-14(19)9-15/h3-7,9-11H,2,8,12H2,1H3,(H,20,22)
InChIKeyICIAWIHVNQEAIJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.44
Rot. Bonds8

About N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide

N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide (PubChem CID 7960384) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
PubChem CID7960384
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO4/c1-2-8-23-16-7-6-13(11-21)17(10-16)24-12-18(22)20-15-5-3-4-14(19)9-15/h3-7,9-11H,2,8,12H2,1H3,(H,20,22)
InChIKeyICIAWIHVNQEAIJ-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7960465
N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960500
N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960522
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
CID 43388336
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 60513959
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7568652
2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9017740
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide (CID 7960384) is N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide is CCCOc1ccc(C=O)c(OCC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The InChIKey is ICIAWIHVNQEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-2-8-23-16-7-6-13(11-21)17(10-16)24-12-18(22)20-15-5-3-4-14(19)9-15/h3-7,9-11H,2,8,12H2,1H3,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide has a molecular weight of 331.34 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide is sourced from PubChem (CID 7960384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).