4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide

C13H18BrNO3 — CID 63692169

IUPAC4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H18BrNO3/c1-3-15(7-8-18-4-2)13(17)11-6-5-10(14)9-12(11)16/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyHPUJUQOPDGWLSI-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.65
Rot. Bonds6

About 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide

4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide (PubChem CID 63692169) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
PubChem CID63692169
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H18BrNO3/c1-3-15(7-8-18-4-2)13(17)11-6-5-10(14)9-12(11)16/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyHPUJUQOPDGWLSI-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.65
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-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
4-bromo-N,N-bis(2-ethoxyethyl)-2-sulfanylbenzamide
CID 107033845
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
CID 82960004
N-(3-amino-3-hydroxyiminopropyl)-4-bromo-N-ethyl-2-hydroxybenzamide
CID 76922764
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
4-bromo-2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63692734
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide (CID 63692169) is 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide is CCOCCN(CC)C(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide?
The InChIKey is HPUJUQOPDGWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-3-15(7-8-18-4-2)13(17)11-6-5-10(14)9-12(11)16/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide?
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide has a molecular weight of 316.20 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 63692169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).