3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide

C12H14BrFN2O2 — CID 62626452

IUPAC3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
SMILESNc1cc(F)cc(Br)c1OCCC(=O)NC1CC1
InChIInChI=1S/C12H14BrFN2O2/c13-9-5-7(14)6-10(15)12(9)18-4-3-11(17)16-8-1-2-8/h5-6,8H,1-4,15H2,(H,16,17)
InChIKeyZRSCHVVNXCHQQU-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide

3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide (PubChem CID 62626452) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
PubChem CID62626452
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
SMILESNc1cc(F)cc(Br)c1OCCC(=O)NC1CC1
InChIInChI=1S/C12H14BrFN2O2/c13-9-5-7(14)6-10(15)12(9)18-4-3-11(17)16-8-1-2-8/h5-6,8H,1-4,15H2,(H,16,17)
InChIKeyZRSCHVVNXCHQQU-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.22
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-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62627586
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62628137
3-bromo-5-fluoro-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103408888
3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 107723835
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112620994
2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488078
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide (CID 62626452) is 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide is Nc1cc(F)cc(Br)c1OCCC(=O)NC1CC1.
What is the InChIKey of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide?
The InChIKey is ZRSCHVVNXCHQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-9-5-7(14)6-10(15)12(9)18-4-3-11(17)16-8-1-2-8/h5-6,8H,1-4,15H2,(H,16,17).
What are the key properties of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide?
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide has a molecular weight of 317.16 g/mol, XLogP of 2.22, 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-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 62626452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).