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Acetanilide, 4'-chloro-2-fluoro-N-(2-hydroxyethyl)-

PubChem CID
24789
Structure
Acetanilide, 4'-chloro-2-fluoro-N-(2-hydroxyethyl)-_small.png
Acetanilide, 4'-chloro-2-fluoro-N-(2-hydroxyethyl)-_3D_Structure.png
Molecular Formula
Synonyms
  • 10016-08-7
  • BRN 2124305
  • 4'-Chloro-2-fluoro-N-(2-hydroxyethyl)acetanilide
  • N-(4-chlorophenyl)-2-fluoro-N-(2-hydroxyethyl)acetamide
  • ACETANILIDE, 4'-CHLORO-2-FLUORO-N-(2-HYDROXYETHYL)-
Molecular Weight
231.65 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-08-08
  • Modify:
    2025-01-18

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Acetanilide, 4'-chloro-2-fluoro-N-(2-hydroxyethyl)-.png

1.2 3D Conformer

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
Ph(4-Cl)-N(AcF)Gly-ol
Sequence
G
HELM
PEPTIDE1{[c1cc(ccc1N(CCO)C(=O)CF)Cl]}$$$$
IUPAC
N-(4-chlorophenyl)-N-(fluoroacetyl)-glycinol

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

N-(4-chlorophenyl)-2-fluoro-N-(2-hydroxyethyl)acetamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

3.1.2 InChI

InChI=1S/C10H11ClFNO2/c11-8-1-3-9(4-2-8)13(5-6-14)10(15)7-12/h1-4,14H,5-7H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.3 InChIKey

FVVZKGZPIKCOPH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.4 SMILES

C1=CC(=CC=C1N(CCO)C(=O)CF)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

3.2 Molecular Formula

C10H11ClFNO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)

3.3 Other Identifiers

3.3.1 CAS

10016-08-7

3.3.2 DSSTox Substance ID

3.3.3 Nikkaji Number

3.3.4 Wikidata

3.4 Synonyms

3.4.1 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
231.65 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
231.0462344 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
231.0462344 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
40.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
208
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

6 Chemical Vendors

7 Toxicity

7.1 Toxicological Information

7.1.1 Acute Effects

8 Literature

8.1 Consolidated References

9 Classification

9.1 ChemIDplus

9.2 PFAS and Fluorinated Organic Compounds in PubChem

9.3 MolGenie Organic Chemistry Ontology

10 Information Sources

CONTENTS