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

C12H17FN2O2 — CID 43247874

IUPACN-(5-amino-2-fluorophenyl)-2-propoxypropanamide
SMILESCCCOC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-3-6-17-8(2)12(16)15-11-7-9(14)4-5-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyGATKFFUFMOKWQD-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.16
Rot. Bonds5

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

N-(5-amino-2-fluorophenyl)-2-propoxypropanamide (PubChem CID 43247874) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-propoxypropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-propoxypropanamide
PubChem CID43247874
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(5-amino-2-fluorophenyl)-2-propoxypropanamide
SMILESCCCOC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-3-6-17-8(2)12(16)15-11-7-9(14)4-5-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyGATKFFUFMOKWQD-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43267510
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N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
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N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
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CID 63686885
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
N-(2-amino-4-fluorophenyl)-2-(2-hydroxyethoxy)propanamide
CID 43823331
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
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CID 43615880

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-propoxypropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-propoxypropanamide (CID 43247874) is N-(5-amino-2-fluorophenyl)-2-propoxypropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-propoxypropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-propoxypropanamide is CCCOC(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-propoxypropanamide?
The InChIKey is GATKFFUFMOKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-6-17-8(2)12(16)15-11-7-9(14)4-5-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-propoxypropanamide?
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide has a molecular weight of 240.28 g/mol, XLogP of 2.16, 5 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-propoxypropanamide is sourced from PubChem (CID 43247874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).