4-bromo-N-(2-bromoethyl)-2-methoxybenzamide

C10H11Br2NO2 — CID 115369513

IUPAC4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCBr
InChIInChI=1S/C10H11Br2NO2/c1-15-9-6-7(12)2-3-8(9)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNNUIXEHOFWVALK-UHFFFAOYSA-N
MW337.01 g/mol
LogP2.58
Rot. Bonds4

About 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide

4-bromo-N-(2-bromoethyl)-2-methoxybenzamide (PubChem CID 115369513) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
PubChem CID115369513
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCBr
InChIInChI=1S/C10H11Br2NO2/c1-15-9-6-7(12)2-3-8(9)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNNUIXEHOFWVALK-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide (CID 115369513) is 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NCCBr.
What is the InChIKey of 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide?
The InChIKey is NNUIXEHOFWVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-15-9-6-7(12)2-3-8(9)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide?
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide has a molecular weight of 337.01 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromoethyl)-2-methoxybenzamide is sourced from PubChem (CID 115369513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).