N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide

C12H15FN2O3 — CID 102605608

IUPACN-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
SMILESNc1cc(NC(=O)CCOC2COC2)ccc1F
InChIInChI=1S/C12H15FN2O3/c13-10-2-1-8(5-11(10)14)15-12(16)3-4-18-9-6-17-7-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16)
InChIKeyJABLQIQGJXVFGD-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.15
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide

N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide (PubChem CID 102605608) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
PubChem CID102605608
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
SMILESNc1cc(NC(=O)CCOC2COC2)ccc1F
InChIInChI=1S/C12H15FN2O3/c13-10-2-1-8(5-11(10)14)15-12(16)3-4-18-9-6-17-7-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16)
InChIKeyJABLQIQGJXVFGD-UHFFFAOYSA-N
XLogP1.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
CID 102605623
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
CID 66322803
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide
CID 64728371
N-(3-amino-4-fluorophenyl)-3-propan-2-ylsulfanylpropanamide
CID 60885351
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide (CID 102605608) is N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide is Nc1cc(NC(=O)CCOC2COC2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide?
The InChIKey is JABLQIQGJXVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-10-2-1-8(5-11(10)14)15-12(16)3-4-18-9-6-17-7-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide?
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide has a molecular weight of 254.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide is sourced from PubChem (CID 102605608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).