N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide

C15H14BrFN2O2 — CID 61030857

IUPACN-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
SMILESNc1cccc(OCCNC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O2/c16-10-4-5-14(17)13(8-10)15(20)19-6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyWLTNPIIHMKESFZ-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide

N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide (PubChem CID 61030857) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
PubChem CID61030857
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
SMILESNc1cccc(OCCNC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O2/c16-10-4-5-14(17)13(8-10)15(20)19-6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyWLTNPIIHMKESFZ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide 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

5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
N-[2-(3-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61032515
N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
CID 82874414
N-[2-(3-aminophenoxy)ethyl]-5-bromothiophene-2-carboxamide
CID 54915199
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide
CID 107731148
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2-fluoro-N-(2-phenoxyethyl)-5-sulfanylbenzamide
CID 107026803
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide (CID 61030857) is N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide is Nc1cccc(OCCNC(=O)c2cc(Br)ccc2F)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide?
The InChIKey is WLTNPIIHMKESFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-10-4-5-14(17)13(8-10)15(20)19-6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide?
N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide has a molecular weight of 353.19 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 61030857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).