N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide

C13H17FN2O2 — CID 62116142

IUPACN-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
SMILESCC(OC1CCC1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8(18-10-3-2-4-10)13(17)16-12-7-9(15)5-6-11(12)14/h5-8,10H,2-4,15H2,1H3,(H,16,17)
InChIKeyWGRNRQCBSQHKFK-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.30
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide

N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide (PubChem CID 62116142) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
PubChem CID62116142
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
SMILESCC(OC1CCC1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8(18-10-3-2-4-10)13(17)16-12-7-9(15)5-6-11(12)14/h5-8,10H,2-4,15H2,1H3,(H,16,17)
InChIKeyWGRNRQCBSQHKFK-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81466790
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103486661
N-(5-amino-2-fluorophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
CID 82954224
N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
CID 46735854
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide (CID 62116142) is N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide is CC(OC1CCC1)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide?
The InChIKey is WGRNRQCBSQHKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(18-10-3-2-4-10)13(17)16-12-7-9(15)5-6-11(12)14/h5-8,10H,2-4,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide?
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide has a molecular weight of 252.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide is sourced from PubChem (CID 62116142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).