N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide

C11H14BrNO2 — CID 70935012

IUPACN-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)c1cccc(Br)c1C
InChIInChI=1S/C11H14BrNO2/c1-8-10(12)4-3-5-11(8)13(6-7-14)9(2)15/h3-5,14H,6-7H2,1-2H3
InChIKeyIPQHXDLPKOAYBT-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.10
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide

N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 70935012) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
PubChem CID70935012
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)c1cccc(Br)c1C
InChIInChI=1S/C11H14BrNO2/c1-8-10(12)4-3-5-11(8)13(6-7-14)9(2)15/h3-5,14H,6-7H2,1-2H3
InChIKeyIPQHXDLPKOAYBT-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

N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-(2-bromophenyl)-N-but-3-enylacetamide
CID 15062818
2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
CID 159235201
3-bromo-N,N,2-trimethylaniline
CID 107640986
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide (CID 70935012) is N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide is CC(=O)N(CCO)c1cccc(Br)c1C.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is IPQHXDLPKOAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-10(12)4-3-5-11(8)13(6-7-14)9(2)15/h3-5,14H,6-7H2,1-2H3.
What are the key properties of N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide 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-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 70935012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).