N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide

C17H18BrNO3 — CID 113099576

IUPACN-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCOc1ccccc1Br
InChIInChI=1S/C17H18BrNO3/c18-15-8-4-5-9-16(15)22-13-11-19-17(20)10-12-21-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyFVHRLKLXWHZWHL-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.41
Rot. Bonds8

About N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide

N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide (PubChem CID 113099576) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
PubChem CID113099576
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCOc1ccccc1Br
InChIInChI=1S/C17H18BrNO3/c18-15-8-4-5-9-16(15)22-13-11-19-17(20)10-12-21-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyFVHRLKLXWHZWHL-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenoxy)propanehydrazide
CID 61059905
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide (CID 113099576) is N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCOc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide?
The InChIKey is FVHRLKLXWHZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c18-15-8-4-5-9-16(15)22-13-11-19-17(20)10-12-21-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide?
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide has a molecular weight of 364.24 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).