N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide

C15H14BrFN2O2 — CID 81314200

IUPACN-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide
SMILESNc1ccc(NC(=O)CCOc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H14BrFN2O2/c16-10-7-11(17)9-14(8-10)21-6-5-15(20)19-13-3-1-12(18)2-4-13/h1-4,7-9H,5-6,18H2,(H,19,20)
InChIKeySDJSNRNSRHDHKH-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.58
Rot. Bonds5

About N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide

N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide (PubChem CID 81314200) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide
PubChem CID81314200
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide
SMILESNc1ccc(NC(=O)CCOc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H14BrFN2O2/c16-10-7-11(17)9-14(8-10)21-6-5-15(20)19-13-3-1-12(18)2-4-13/h1-4,7-9H,5-6,18H2,(H,19,20)
InChIKeySDJSNRNSRHDHKH-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-3-(3-bromo-5-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

3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
N-(3-amino-4-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81313501
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
N-(4-amino-2-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81314203
3-(3-fluorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794121
3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107699338
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 29046897
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide
CID 81331314

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide (CID 81314200) is N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide is Nc1ccc(NC(=O)CCOc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide?
The InChIKey is SDJSNRNSRHDHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-10-7-11(17)9-14(8-10)21-6-5-15(20)19-13-3-1-12(18)2-4-13/h1-4,7-9H,5-6,18H2,(H,19,20).
What are the key properties of N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide?
N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide has a molecular weight of 353.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide is sourced from PubChem (CID 81314200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).