4-[2-(3-bromophenoxy)ethoxy]benzamide

C15H14BrNO3 — CID 26217003

IUPAC4-[2-(3-bromophenoxy)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrNO3/c16-12-2-1-3-14(10-12)20-9-8-19-13-6-4-11(5-7-13)15(17)18/h1-7,10H,8-9H2,(H2,17,18)
InChIKeyRHTSEISJXSQYRC-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.01
Rot. Bonds6

About 4-[2-(3-bromophenoxy)ethoxy]benzamide

4-[2-(3-bromophenoxy)ethoxy]benzamide (PubChem CID 26217003) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-[2-(3-bromophenoxy)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(3-bromophenoxy)ethoxy]benzamide
PubChem CID26217003
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name4-[2-(3-bromophenoxy)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrNO3/c16-12-2-1-3-14(10-12)20-9-8-19-13-6-4-11(5-7-13)15(17)18/h1-7,10H,8-9H2,(H2,17,18)
InChIKeyRHTSEISJXSQYRC-UHFFFAOYSA-N
XLogP3.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.01
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

[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-(3-bromophenoxy)ethyl 2-(4-cyanophenoxy)acetate
CID 9140855
2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
CID 2407342
4-[2-[3-(3-bromophenoxy)propylamino]pyrimidin-4-yl]benzamide
CID 22143006
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
4-[3-(2-bromoethoxy)phenyl]benzamide
CID 58276262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenoxy)ethoxy]benzamide?
The IUPAC name of 4-[2-(3-bromophenoxy)ethoxy]benzamide (CID 26217003) is 4-[2-(3-bromophenoxy)ethoxy]benzamide.
What is the SMILES notation for 4-[2-(3-bromophenoxy)ethoxy]benzamide?
The canonical SMILES for 4-[2-(3-bromophenoxy)ethoxy]benzamide is NC(=O)c1ccc(OCCOc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[2-(3-bromophenoxy)ethoxy]benzamide?
The InChIKey is RHTSEISJXSQYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-12-2-1-3-14(10-12)20-9-8-19-13-6-4-11(5-7-13)15(17)18/h1-7,10H,8-9H2,(H2,17,18).
What are the key properties of 4-[2-(3-bromophenoxy)ethoxy]benzamide?
4-[2-(3-bromophenoxy)ethoxy]benzamide has a molecular weight of 336.19 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenoxy)ethoxy]benzamide is sourced from PubChem (CID 26217003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).