2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide

C14H18BrNO3 — CID 103804067

IUPAC2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(=O)c1ccc(Br)cc1OCC(=O)N(C)C(C)C
InChIInChI=1S/C14H18BrNO3/c1-9(2)16(4)14(18)8-19-13-7-11(15)5-6-12(13)10(3)17/h5-7,9H,8H2,1-4H3
InChIKeyUNWONJDXYUGGSF-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide

2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 103804067) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID103804067
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(=O)c1ccc(Br)cc1OCC(=O)N(C)C(C)C
InChIInChI=1S/C14H18BrNO3/c1-9(2)16(4)14(18)8-19-13-7-11(15)5-6-12(13)10(3)17/h5-7,9H,8H2,1-4H3
InChIKeyUNWONJDXYUGGSF-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
5-bromo-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 103601812
1-(4-bromo-2-pentoxyphenyl)ethanone
CID 82972299
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
1-[4-bromo-2-(2-hydroxy-3-methoxypropoxy)phenyl]ethanone
CID 103931759
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
1-[4-bromo-2-(3,3-dimethylbutoxy)phenyl]ethanone
CID 82971528
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone
CID 102948061

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide (CID 103804067) is 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide is CC(=O)c1ccc(Br)cc1OCC(=O)N(C)C(C)C.
What is the InChIKey of 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is UNWONJDXYUGGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-9(2)16(4)14(18)8-19-13-7-11(15)5-6-12(13)10(3)17/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 328.21 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 103804067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).