2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide

C13H16BrNO3 — CID 9210148

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide
SMILESCOc1cc(Br)c(CC(=O)NC2CC2)cc1OC
InChIInChI=1S/C13H16BrNO3/c1-17-11-5-8(10(14)7-12(11)18-2)6-13(16)15-9-3-4-9/h5,7,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyBEIYIWAQRFQNKM-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.29
Rot. Bonds5

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide (PubChem CID 9210148) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide
PubChem CID9210148
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide
SMILESCOc1cc(Br)c(CC(=O)NC2CC2)cc1OC
InChIInChI=1S/C13H16BrNO3/c1-17-11-5-8(10(14)7-12(11)18-2)6-13(16)15-9-3-4-9/h5,7,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyBEIYIWAQRFQNKM-UHFFFAOYSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide (CID 9210148) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide is COc1cc(Br)c(CC(=O)NC2CC2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide?
The InChIKey is BEIYIWAQRFQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-17-11-5-8(10(14)7-12(11)18-2)6-13(16)15-9-3-4-9/h5,7,9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide has a molecular weight of 314.18 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-cyclopropylacetamide is sourced from PubChem (CID 9210148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).