2-(2-amino-4-fluoroanilino)propanamide

C9H12FN3O — CID 43545455

IUPAC2-(2-amino-4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1N)C(N)=O
InChIInChI=1S/C9H12FN3O/c1-5(9(12)14)13-8-3-2-6(10)4-7(8)11/h2-5,13H,11H2,1H3,(H2,12,14)
InChIKeyPKEQTSQDIXAXPI-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.69
Rot. Bonds3

About 2-(2-amino-4-fluoroanilino)propanamide

2-(2-amino-4-fluoroanilino)propanamide (PubChem CID 43545455) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(2-amino-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoroanilino)propanamide
PubChem CID43545455
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-(2-amino-4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1N)C(N)=O
InChIInChI=1S/C9H12FN3O/c1-5(9(12)14)13-8-3-2-6(10)4-7(8)11/h2-5,13H,11H2,1H3,(H2,12,14)
InChIKeyPKEQTSQDIXAXPI-UHFFFAOYSA-N
XLogP0.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide
CID 61464114
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
2-(2-amino-4,5-dimethoxyanilino)propanamide
CID 83001358
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
methyl 2-(2-carbamothioyl-4-fluoroanilino)propanoate
CID 63674729
2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668074
N-(2-amino-4-fluorophenyl)-2-(2-hydroxyethoxy)propanamide
CID 43823331

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoroanilino)propanamide?
The IUPAC name of 2-(2-amino-4-fluoroanilino)propanamide (CID 43545455) is 2-(2-amino-4-fluoroanilino)propanamide.
What is the SMILES notation for 2-(2-amino-4-fluoroanilino)propanamide?
The canonical SMILES for 2-(2-amino-4-fluoroanilino)propanamide is CC(Nc1ccc(F)cc1N)C(N)=O.
What is the InChIKey of 2-(2-amino-4-fluoroanilino)propanamide?
The InChIKey is PKEQTSQDIXAXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-5(9(12)14)13-8-3-2-6(10)4-7(8)11/h2-5,13H,11H2,1H3,(H2,12,14).
What are the key properties of 2-(2-amino-4-fluoroanilino)propanamide?
2-(2-amino-4-fluoroanilino)propanamide has a molecular weight of 197.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoroanilino)propanamide is sourced from PubChem (CID 43545455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).