2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide

C17H18BrNO3 — CID 113100580

IUPAC2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
SMILESCCOc1cccc(OCCNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO3/c1-2-21-13-6-5-7-14(12-13)22-11-10-19-17(20)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyDHCQXCSXAMZQPC-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.66
Rot. Bonds7

About 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide

2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide (PubChem CID 113100580) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
PubChem CID113100580
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
SMILESCCOc1cccc(OCCNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO3/c1-2-21-13-6-5-7-14(12-13)22-11-10-19-17(20)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyDHCQXCSXAMZQPC-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.66
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

2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide (CID 113100580) is 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide is CCOc1cccc(OCCNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide?
The InChIKey is DHCQXCSXAMZQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-2-21-13-6-5-7-14(12-13)22-11-10-19-17(20)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide?
2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide has a molecular weight of 364.24 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 113100580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).