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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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
CID 803345
N-cyclopentyl-2-(3-methylphenoxy)acetamide
CID 814253
2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 803237
2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1101341
2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide
CID 2269251
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 7847588
2-(4-bromo-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1369516
N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide
CID 718175
2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide
CID 803209
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 2184244
2-(4-bromophenoxy)-N-cyclopropylacetamide
CID 2631886
2-(2-bromo-4-ethylphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1815678

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).