3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide

C12H15FN2O2 — CID 104831210

IUPAC3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
SMILESNc1cccc(F)c1OCCC(=O)NC1CC1
InChIInChI=1S/C12H15FN2O2/c13-9-2-1-3-10(14)12(9)17-7-6-11(16)15-8-4-5-8/h1-3,8H,4-7,14H2,(H,15,16)
InChIKeyFWWBNCXZCHQKCN-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.46
Rot. Bonds5

About 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide

3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide (PubChem CID 104831210) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
PubChem CID104831210
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
SMILESNc1cccc(F)c1OCCC(=O)NC1CC1
InChIInChI=1S/C12H15FN2O2/c13-9-2-1-3-10(14)12(9)17-7-6-11(16)15-8-4-5-8/h1-3,8H,4-7,14H2,(H,15,16)
InChIKeyFWWBNCXZCHQKCN-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.46
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

3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083
3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
CID 79589419
3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide
CID 55148220
2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
CID 80740402
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
CID 55098582
N-cyclopropyl-3-[2-ethoxy-6-(hydroxymethyl)phenoxy]propanamide
CID 62626670

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide (CID 104831210) is 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide is Nc1cccc(F)c1OCCC(=O)NC1CC1.
What is the InChIKey of 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide?
The InChIKey is FWWBNCXZCHQKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-2-1-3-10(14)12(9)17-7-6-11(16)15-8-4-5-8/h1-3,8H,4-7,14H2,(H,15,16).
What are the key properties of 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide?
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide has a molecular weight of 238.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 104831210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).