2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide

C13H18BrFN2O2 — CID 43379290

IUPAC2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1c(N)cc(F)cc1Br
InChIInChI=1S/C13H18BrFN2O2/c1-4-7(2)17-13(18)8(3)19-12-10(14)5-9(15)6-11(12)16/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyYOPAMJZNJIBXPM-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide

2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide (PubChem CID 43379290) has the molecular formula C13H18BrFN2O2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide
PubChem CID43379290
Molecular FormulaC13H18BrFN2O2
Molecular Weight333.20 g/mol
Exact Mass332.05
IUPAC Name2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1c(N)cc(F)cc1Br
InChIInChI=1S/C13H18BrFN2O2/c1-4-7(2)17-13(18)8(3)19-12-10(14)5-9(15)6-11(12)16/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyYOPAMJZNJIBXPM-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide 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

2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61392424
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 62622876
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-pentan-3-ylpropanamide
CID 107741417
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylpropanamide
CID 115962149
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide (CID 43379290) is 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1c(N)cc(F)cc1Br.
What is the InChIKey of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide?
The InChIKey is YOPAMJZNJIBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2/c1-4-7(2)17-13(18)8(3)19-12-10(14)5-9(15)6-11(12)16/h5-8H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide?
2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide has a molecular weight of 333.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide is sourced from PubChem (CID 43379290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).