N-(4-fluoro-2-formylphenyl)acetamide

C9H8FNO2 — CID 84768300

IUPACN-(4-fluoro-2-formylphenyl)acetamide
SMILESCC(=O)Nc1ccc(F)cc1C=O
InChIInChI=1S/C9H8FNO2/c1-6(13)11-9-3-2-8(10)4-7(9)5-12/h2-5H,1H3,(H,11,13)
InChIKeyIQYHLQKRYLFBNI-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.60
Rot. Bonds2

About N-(4-fluoro-2-formylphenyl)acetamide

N-(4-fluoro-2-formylphenyl)acetamide (PubChem CID 84768300) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is N-(4-fluoro-2-formylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-formylphenyl)acetamide
PubChem CID84768300
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC NameN-(4-fluoro-2-formylphenyl)acetamide
SMILESCC(=O)Nc1ccc(F)cc1C=O
InChIInChI=1S/C9H8FNO2/c1-6(13)11-9-3-2-8(10)4-7(9)5-12/h2-5H,1H3,(H,11,13)
InChIKeyIQYHLQKRYLFBNI-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-acetamido-4-fluorophenyl)boronic acid
CID 67417206
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
CID 113092923
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-formylphenyl)acetamide?
The IUPAC name of N-(4-fluoro-2-formylphenyl)acetamide (CID 84768300) is N-(4-fluoro-2-formylphenyl)acetamide.
What is the SMILES notation for N-(4-fluoro-2-formylphenyl)acetamide?
The canonical SMILES for N-(4-fluoro-2-formylphenyl)acetamide is CC(=O)Nc1ccc(F)cc1C=O.
What is the InChIKey of N-(4-fluoro-2-formylphenyl)acetamide?
The InChIKey is IQYHLQKRYLFBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-6(13)11-9-3-2-8(10)4-7(9)5-12/h2-5H,1H3,(H,11,13).
What are the key properties of N-(4-fluoro-2-formylphenyl)acetamide?
N-(4-fluoro-2-formylphenyl)acetamide has a molecular weight of 181.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-formylphenyl)acetamide is sourced from PubChem (CID 84768300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).