N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide

C11H14FNO3 — CID 174413387

IUPACN-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1OCCCO
InChIInChI=1S/C11H14FNO3/c1-8(15)13-10-4-3-9(12)7-11(10)16-6-2-5-14/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyOGLSTQNSIHIXQW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.55
Rot. Bonds5

About N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide

N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide (PubChem CID 174413387) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
PubChem CID174413387
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC NameN-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1OCCCO
InChIInChI=1S/C11H14FNO3/c1-8(15)13-10-4-3-9(12)7-11(10)16-6-2-5-14/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyOGLSTQNSIHIXQW-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
(2S)-2-(4-fluorophenoxy)-N-(4-fluoro-2-propoxyphenyl)propanamide
CID 96542067
[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid
CID 68918743
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol
CID 71862509
1-(2-ethoxy-4-fluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754658
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide (CID 174413387) is N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide is CC(=O)Nc1ccc(F)cc1OCCCO.
What is the InChIKey of N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide?
The InChIKey is OGLSTQNSIHIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-8(15)13-10-4-3-9(12)7-11(10)16-6-2-5-14/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide?
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide is sourced from PubChem (CID 174413387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).