3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide

C11H14BrNO2 — CID 82110320

IUPAC3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1cccc(CBr)c1
InChIInChI=1S/C11H14BrNO2/c1-13(5-6-14)11(15)10-4-2-3-9(7-10)8-12/h2-4,7,14H,5-6,8H2,1H3
InChIKeyCQTFSNMIDJZQQY-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.65
Rot. Bonds4

About 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide

3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 82110320) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID82110320
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1cccc(CBr)c1
InChIInChI=1S/C11H14BrNO2/c1-13(5-6-14)11(15)10-4-2-3-9(7-10)8-12/h2-4,7,14H,5-6,8H2,1H3
InChIKeyCQTFSNMIDJZQQY-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.65
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

N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
CID 70790159
1,2-bis[3-(bromomethyl)phenyl]ethane-1,2-dione
CID 141311973
3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
CID 111544007
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
3-[3-[2-hydroxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 54971727
3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 74242906
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
CID 111423290
N,3-diethyl-N-methylbenzamide
CID 89250993
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide (CID 82110320) is 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1cccc(CBr)c1.
What is the InChIKey of 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is CQTFSNMIDJZQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-13(5-6-14)11(15)10-4-2-3-9(7-10)8-12/h2-4,7,14H,5-6,8H2,1H3.
What are the key properties of 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide?
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 82110320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).