2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide

C12H14BrNO2 — CID 110767767

IUPAC2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
SMILESCOc1ccc(CC(=O)NC2CC2)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-16-11-5-2-8(6-10(11)13)7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15)
InChIKeyQEGZFLFUIPQQGJ-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide

2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide (PubChem CID 110767767) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
PubChem CID110767767
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
SMILESCOc1ccc(CC(=O)NC2CC2)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-16-11-5-2-8(6-10(11)13)7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15)
InChIKeyQEGZFLFUIPQQGJ-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114964723
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273
N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide (CID 110767767) is 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide is COc1ccc(CC(=O)NC2CC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide?
The InChIKey is QEGZFLFUIPQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-11-5-2-8(6-10(11)13)7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide?
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide has a molecular weight of 284.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide is sourced from PubChem (CID 110767767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).