2,4-dibromo-N-(2-methoxyethyl)benzamide

C10H11Br2NO2 — CID 103882043

IUPAC2,4-dibromo-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H11Br2NO2/c1-15-5-4-13-10(14)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyLXIPGDJRCPTGOL-UHFFFAOYSA-N
MW337.01 g/mol
LogP2.59
Rot. Bonds4

About 2,4-dibromo-N-(2-methoxyethyl)benzamide

2,4-dibromo-N-(2-methoxyethyl)benzamide (PubChem CID 103882043) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methoxyethyl)benzamide
PubChem CID103882043
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name2,4-dibromo-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H11Br2NO2/c1-15-5-4-13-10(14)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyLXIPGDJRCPTGOL-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83038903
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2,4-dibromo-N-pent-3-ynylbenzamide
CID 104581244
4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994336
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-methoxyethyl)benzamide (CID 103882043) is 2,4-dibromo-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-methoxyethyl)benzamide?
The InChIKey is LXIPGDJRCPTGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-15-5-4-13-10(14)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 2,4-dibromo-N-(2-methoxyethyl)benzamide?
2,4-dibromo-N-(2-methoxyethyl)benzamide has a molecular weight of 337.01 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 103882043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).