3-bromo-N-(2-bromoethyl)-N-ethylbenzamide

C11H13Br2NO — CID 80659958

IUPAC3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
SMILESCCN(CCBr)C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13Br2NO/c1-2-14(7-6-12)11(15)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3
InChIKeyNMUOLOBULTZTKK-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.31
Rot. Bonds4

About 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide

3-bromo-N-(2-bromoethyl)-N-ethylbenzamide (PubChem CID 80659958) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
PubChem CID80659958
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
SMILESCCN(CCBr)C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13Br2NO/c1-2-14(7-6-12)11(15)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3
InChIKeyNMUOLOBULTZTKK-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethylbenzamide
CID 54987862
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
3-[(3-bromobenzoyl)-methylamino]propanoic acid
CID 60989178

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide (CID 80659958) is 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide is CCN(CCBr)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide?
The InChIKey is NMUOLOBULTZTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-2-14(7-6-12)11(15)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3.
What are the key properties of 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide?
3-bromo-N-(2-bromoethyl)-N-ethylbenzamide has a molecular weight of 335.04 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoethyl)-N-ethylbenzamide is sourced from PubChem (CID 80659958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).