2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide

C11H14BrNO2 — CID 110004740

IUPAC2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(Br)ccc1CC(=O)NCCO
InChIInChI=1S/C11H14BrNO2/c1-8-6-10(12)3-2-9(8)7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyISAOPHJLOOPOHX-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.41
Rot. Bonds4

About 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide

2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 110004740) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
PubChem CID110004740
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(Br)ccc1CC(=O)NCCO
InChIInChI=1S/C11H14BrNO2/c1-8-6-10(12)3-2-9(8)7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyISAOPHJLOOPOHX-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[[2-(4-bromo-2-methylphenyl)acetyl]amino]heptanoic acid
CID 120524083
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 86798561
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110005910
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
1-(4-bromo-2-methylphenyl)-3-sulfanylpropan-2-one
CID 58139329
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide (CID 110004740) is 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide is Cc1cc(Br)ccc1CC(=O)NCCO.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is ISAOPHJLOOPOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-6-10(12)3-2-9(8)7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide?
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 272.14 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110004740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).