N-(2-amino-4-fluorophenyl)acetamide;ethane

C12H21FN2O — CID 178102337

IUPACN-(2-amino-4-fluorophenyl)acetamide;ethane
SMILESCC.CC.CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C8H9FN2O.2C2H6/c1-5(12)11-8-3-2-6(9)4-7(8)10;2*1-2/h2-4H,10H2,1H3,(H,11,12);2*1-2H3
InChIKeyITLOBZHYQHULMB-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.42
Rot. Bonds1

About N-(2-amino-4-fluorophenyl)acetamide;ethane

N-(2-amino-4-fluorophenyl)acetamide;ethane (PubChem CID 178102337) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)acetamide;ethane.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)acetamide;ethane
PubChem CID178102337
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-(2-amino-4-fluorophenyl)acetamide;ethane
SMILESCC.CC.CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C8H9FN2O.2C2H6/c1-5(12)11-8-3-2-6(9)4-7(8)10;2*1-2/h2-4H,10H2,1H3,(H,11,12);2*1-2H3
InChIKeyITLOBZHYQHULMB-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.42
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

(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone
CID 155400027
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)acetamide;ethane?
The IUPAC name of N-(2-amino-4-fluorophenyl)acetamide;ethane (CID 178102337) is N-(2-amino-4-fluorophenyl)acetamide;ethane.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)acetamide;ethane?
The canonical SMILES for N-(2-amino-4-fluorophenyl)acetamide;ethane is CC.CC.CC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)acetamide;ethane?
The InChIKey is ITLOBZHYQHULMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O.2C2H6/c1-5(12)11-8-3-2-6(9)4-7(8)10;2*1-2/h2-4H,10H2,1H3,(H,11,12);2*1-2H3.
What are the key properties of N-(2-amino-4-fluorophenyl)acetamide;ethane?
N-(2-amino-4-fluorophenyl)acetamide;ethane has a molecular weight of 228.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)acetamide;ethane is sourced from PubChem (CID 178102337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).