2-(4-bromo-3-methylphenoxy)-N-propylacetamide

C12H16BrNO2 — CID 2885650

IUPAC2-(4-bromo-3-methylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-10-4-5-11(13)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMHJQFKQGSAFLRZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-bromo-3-methylphenoxy)-N-propylacetamide

2-(4-bromo-3-methylphenoxy)-N-propylacetamide (PubChem CID 2885650) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-propylacetamide
PubChem CID2885650
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-10-4-5-11(13)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMHJQFKQGSAFLRZ-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-propylacetamide (CID 2885650) is 2-(4-bromo-3-methylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-propylacetamide?
The InChIKey is MHJQFKQGSAFLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-10-4-5-11(13)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-propylacetamide?
2-(4-bromo-3-methylphenoxy)-N-propylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-propylacetamide is sourced from PubChem (CID 2885650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).