5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide

C10H11BrClNO2 — CID 107730306

IUPAC5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C10H11BrClNO2/c1-13(5-4-12)10(15)8-6-7(11)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3
InChIKeyFXEKKTNGOSFPSK-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.47
Rot. Bonds3

About 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide

5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide (PubChem CID 107730306) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
PubChem CID107730306
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C10H11BrClNO2/c1-13(5-4-12)10(15)8-6-7(11)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3
InChIKeyFXEKKTNGOSFPSK-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.47
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

5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056
1-(5-bromo-2-hydroxyphenyl)-3-chloropropan-1-one
CID 130898167
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide
CID 17431566
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide (CID 107730306) is 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide is CN(CCCl)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide?
The InChIKey is FXEKKTNGOSFPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-13(5-4-12)10(15)8-6-7(11)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide?
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide has a molecular weight of 292.56 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107730306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).