2-bromo-N,4-diethoxybenzamide

C11H14BrNO3 — CID 90850179

IUPAC2-bromo-N,4-diethoxybenzamide
SMILESCCONC(=O)c1ccc(OCC)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-3-15-8-5-6-9(10(12)7-8)11(14)13-16-4-2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyXQFSFTTZGWNZTQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.53
Rot. Bonds5

About 2-bromo-N,4-diethoxybenzamide

2-bromo-N,4-diethoxybenzamide (PubChem CID 90850179) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-bromo-N,4-diethoxybenzamide.

Molecular Properties

Compound Name2-bromo-N,4-diethoxybenzamide
PubChem CID90850179
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-bromo-N,4-diethoxybenzamide
SMILESCCONC(=O)c1ccc(OCC)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-3-15-8-5-6-9(10(12)7-8)11(14)13-16-4-2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyXQFSFTTZGWNZTQ-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
CID 81429202
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819681
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
CID 83154667
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
3-bromo-N-ethoxy-2-fluorobenzamide
CID 106547791
1-(2-bromo-4-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206758
1-(2-bromo-4-ethoxyphenyl)-2-cycloheptylethanone
CID 114457392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,4-diethoxybenzamide?
The IUPAC name of 2-bromo-N,4-diethoxybenzamide (CID 90850179) is 2-bromo-N,4-diethoxybenzamide.
What is the SMILES notation for 2-bromo-N,4-diethoxybenzamide?
The canonical SMILES for 2-bromo-N,4-diethoxybenzamide is CCONC(=O)c1ccc(OCC)cc1Br.
What is the InChIKey of 2-bromo-N,4-diethoxybenzamide?
The InChIKey is XQFSFTTZGWNZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-15-8-5-6-9(10(12)7-8)11(14)13-16-4-2/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N,4-diethoxybenzamide?
2-bromo-N,4-diethoxybenzamide has a molecular weight of 288.14 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,4-diethoxybenzamide is sourced from PubChem (CID 90850179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).