2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide

C9H9ClFNO2 — CID 169107279

IUPAC2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(F)cc1CO
InChIInChI=1S/C9H9ClFNO2/c10-4-9(14)12-8-2-1-7(11)3-6(8)5-13/h1-3,13H,4-5H2,(H,12,14)
InChIKeyHYEVKEMZUKIADF-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.50
Rot. Bonds3

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

2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide (PubChem CID 169107279) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide
PubChem CID169107279
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(F)cc1CO
InChIInChI=1S/C9H9ClFNO2/c10-4-9(14)12-8-2-1-7(11)3-6(8)5-13/h1-3,13H,4-5H2,(H,12,14)
InChIKeyHYEVKEMZUKIADF-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794
methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
CID 43701749
N-(2-benzyl-4-fluorophenyl)-2-hydroxyacetamide
CID 67711823
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
CID 167990561
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 107698413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide (CID 169107279) is 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide is O=C(CCl)Nc1ccc(F)cc1CO.
What is the InChIKey of 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide?
The InChIKey is HYEVKEMZUKIADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-4-9(14)12-8-2-1-7(11)3-6(8)5-13/h1-3,13H,4-5H2,(H,12,14).
What are the key properties of 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide?
2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide has a molecular weight of 217.63 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 169107279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).