2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide

C12H14BrNO — CID 166638837

IUPAC2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
SMILESCc1cc(Br)ccc1CC(=O)NC1CC1
InChIInChI=1S/C12H14BrNO/c1-8-6-10(13)3-2-9(8)7-12(15)14-11-4-5-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyHQEJXGSFFSQXJU-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide

2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide (PubChem CID 166638837) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
PubChem CID166638837
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
SMILESCc1cc(Br)ccc1CC(=O)NC1CC1
InChIInChI=1S/C12H14BrNO/c1-8-6-10(13)3-2-9(8)7-12(15)14-11-4-5-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyHQEJXGSFFSQXJU-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-bromo-2-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001618
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
4-[(4-bromo-2-methylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509710
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 110004740
N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
CID 112752975
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-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
7-[[2-(4-bromo-2-methylphenyl)acetyl]amino]heptanoic acid
CID 120524083

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide (CID 166638837) is 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide is Cc1cc(Br)ccc1CC(=O)NC1CC1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide?
The InChIKey is HQEJXGSFFSQXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8-6-10(13)3-2-9(8)7-12(15)14-11-4-5-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide?
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide has a molecular weight of 268.15 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide is sourced from PubChem (CID 166638837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).