N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide

C11H14BrNO2 — CID 115138927

IUPACN-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CCO
InChIInChI=1S/C11H14BrNO2/c1-8-3-4-9(12)7-10(8)13(2)11(15)5-6-14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyBEAGRJMNPJAMFC-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.10
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide

N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115138927) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115138927
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CCO
InChIInChI=1S/C11H14BrNO2/c1-8-3-4-9(12)7-10(8)13(2)11(15)5-6-14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyBEAGRJMNPJAMFC-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-bromo-N,2-dimethylanilino)-5-oxopentanoic acid
CID 115163850
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
1-(5-bromo-2-methylphenyl)-1-methylurea
CID 115168285
N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
CID 115175535
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149
3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 115138893
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
N-(5-bromo-2-methylphenyl)-N-methyl-2-morpholin-2-ylacetamide
CID 115178201

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide (CID 115138927) is N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide is Cc1ccc(Br)cc1N(C)C(=O)CCO.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is BEAGRJMNPJAMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-3-4-9(12)7-10(8)13(2)11(15)5-6-14/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide?
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 272.14 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115138927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).