N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide

C18H20FNO4 — CID 78830111

IUPACN-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C18H20FNO4/c19-14-7-9-15(10-8-14)23-12-4-3-11-20-18(22)13-24-17-6-2-1-5-16(17)21/h1-2,5-10,21H,3-4,11-13H2,(H,20,22)
InChIKeyCPMBCPQWHXKTRB-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.89
Rot. Bonds9

About N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide

N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide (PubChem CID 78830111) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
PubChem CID78830111
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C18H20FNO4/c19-14-7-9-15(10-8-14)23-12-4-3-11-20-18(22)13-24-17-6-2-1-5-16(17)21/h1-2,5-10,21H,3-4,11-13H2,(H,20,22)
InChIKeyCPMBCPQWHXKTRB-UHFFFAOYSA-N
XLogP2.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
2-(2-methoxyphenoxy)-N-[4-(4-phenylmethoxyphenoxy)butyl]acetamide
CID 24677341
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
CID 42572414
2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572295
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 26635741
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide (CID 78830111) is N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide is O=C(COc1ccccc1O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is CPMBCPQWHXKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c19-14-7-9-15(10-8-14)23-12-4-3-11-20-18(22)13-24-17-6-2-1-5-16(17)21/h1-2,5-10,21H,3-4,11-13H2,(H,20,22).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide?
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 78830111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).