N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide

C12H16FNO2 — CID 105482989

IUPACN-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1CCCCO
InChIInChI=1S/C12H16FNO2/c1-9(16)14-12-6-5-11(13)8-10(12)4-2-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,14,16)
InChIKeyCMFRSXIUVTXVIO-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.10
Rot. Bonds5

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

N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide (PubChem CID 105482989) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
PubChem CID105482989
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1CCCCO
InChIInChI=1S/C12H16FNO2/c1-9(16)14-12-6-5-11(13)8-10(12)4-2-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,14,16)
InChIKeyCMFRSXIUVTXVIO-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
CID 174413387
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
4-(4-fluoro-2-methylphenyl)butan-1-ol
CID 54363918
N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide
CID 138505346
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
(2-acetamido-4-fluorophenyl)boronic acid
CID 67417206
N-(4-fluoro-2-formylphenyl)acetamide
CID 84768300
4-fluoro-2-(3-hydroxypropyl)benzamide
CID 86681537
1-(diaminomethylidene)-3-(4-fluoro-2-propylphenyl)urea
CID 23348908
N-(2-acetamido-5-fluorophenyl)-2-phenylacetamide
CID 113092954
2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide
CID 169107279

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide (CID 105482989) is N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide is CC(=O)Nc1ccc(F)cc1CCCCO.
What is the InChIKey of N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide?
The InChIKey is CMFRSXIUVTXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(16)14-12-6-5-11(13)8-10(12)4-2-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,14,16).
What are the key properties of N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide?
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide has a molecular weight of 225.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide is sourced from PubChem (CID 105482989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).