N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide

C13H18BrFN2O2 — CID 119496943

IUPACN-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
SMILESCC(N)CCNC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C13H18BrFN2O2/c1-8(16)5-6-17-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyKVGZOCHZEVSSQO-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.21
Rot. Bonds6

About N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide

N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide (PubChem CID 119496943) has the molecular formula C13H18BrFN2O2 and a molecular weight of 333.20 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
PubChem CID119496943
Molecular FormulaC13H18BrFN2O2
Molecular Weight333.20 g/mol
Exact Mass332.05
IUPAC NameN-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
SMILESCC(N)CCNC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C13H18BrFN2O2/c1-8(16)5-6-17-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyKVGZOCHZEVSSQO-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide 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-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 42960788
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119522994
2-(2-bromo-4-fluorophenoxy)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 55690465
2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 43077800
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide?
The IUPAC name of N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide (CID 119496943) is N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide?
The canonical SMILES for N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide is CC(N)CCNC(=O)C(C)Oc1ccc(F)cc1Br.
What is the InChIKey of N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide?
The InChIKey is KVGZOCHZEVSSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2/c1-8(16)5-6-17-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide?
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide has a molecular weight of 333.20 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide is sourced from PubChem (CID 119496943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).