4-(bromomethyl)-N-(2-hydroxyethyl)benzamide

C10H12BrNO2 — CID 82110896

IUPAC4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(CBr)cc1
InChIInChI=1S/C10H12BrNO2/c11-7-8-1-3-9(4-2-8)10(14)12-5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyCKIXOTQBNCTBPE-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.30
Rot. Bonds4

About 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide

4-(bromomethyl)-N-(2-hydroxyethyl)benzamide (PubChem CID 82110896) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
PubChem CID82110896
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(CBr)cc1
InChIInChI=1S/C10H12BrNO2/c11-7-8-1-3-9(4-2-8)10(14)12-5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyCKIXOTQBNCTBPE-UHFFFAOYSA-N
XLogP1.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.30
H-Bond Donors ≤ 52
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)-4-(methylaminomethyl)benzamide
CID 70891086
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
CID 102852072
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride
CID 67368150
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007
4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide
CID 141482421
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide (CID 82110896) is 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide?
The InChIKey is CKIXOTQBNCTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-7-8-1-3-9(4-2-8)10(14)12-5-6-13/h1-4,13H,5-7H2,(H,12,14).
What are the key properties of 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide?
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide has a molecular weight of 258.12 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 82110896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).