2-(4-aminophenyl)-2-fluoropropanamide

C9H11FN2O — CID 57139734

IUPAC2-(4-aminophenyl)-2-fluoropropanamide
SMILESCC(F)(C(N)=O)c1ccc(N)cc1
InChIInChI=1S/C9H11FN2O/c1-9(10,8(12)13)6-2-4-7(11)5-3-6/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyABSNYWWZPQXAQQ-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.94
Rot. Bonds2

About 2-(4-aminophenyl)-2-fluoropropanamide

2-(4-aminophenyl)-2-fluoropropanamide (PubChem CID 57139734) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-fluoropropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-fluoropropanamide
PubChem CID57139734
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-(4-aminophenyl)-2-fluoropropanamide
SMILESCC(F)(C(N)=O)c1ccc(N)cc1
InChIInChI=1S/C9H11FN2O/c1-9(10,8(12)13)6-2-4-7(11)5-3-6/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyABSNYWWZPQXAQQ-UHFFFAOYSA-N
XLogP0.94
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Aminobenzamide
CID 76079
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1-(4-Aminophenyl)-1-pentanone
CID 161959
3-(4'-Aminophenyl)pyrrolidine-2,5-dione
CID 161760
2-(4-Acetamidophenyl)acetamide
CID 25862032
2-(4-Aminophenyl)acetamide
CID 238034
2-(2-Aminophenyl)acetamide
CID 278286
3-(4-Aminophenyl)propanamide
CID 13596074
2-(4-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2166869
Benzenebutanamide, 4-(acetylamino)-
CID 3058962
2-(4-Aminophenyl)-2-phenylpropanimidic acid
CID 3046176

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-fluoropropanamide?
The IUPAC name of 2-(4-aminophenyl)-2-fluoropropanamide (CID 57139734) is 2-(4-aminophenyl)-2-fluoropropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-fluoropropanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-fluoropropanamide is CC(F)(C(N)=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-fluoropropanamide?
The InChIKey is ABSNYWWZPQXAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-9(10,8(12)13)6-2-4-7(11)5-3-6/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 2-(4-aminophenyl)-2-fluoropropanamide?
2-(4-aminophenyl)-2-fluoropropanamide has a molecular weight of 182.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-fluoropropanamide is sourced from PubChem (CID 57139734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).