2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide

C12H15Br2NO3 — CID 18161002

IUPAC2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyJNNRUGZGZMWRSL-UHFFFAOYSA-N
MW381.06 g/mol
LogP2.74
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 18161002) has the molecular formula C12H15Br2NO3 and a molecular weight of 381.06 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID18161002
Molecular FormulaC12H15Br2NO3
Molecular Weight381.06 g/mol
Exact Mass378.94
IUPAC Name2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyJNNRUGZGZMWRSL-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62392944
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63052526
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
CID 112779251
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
(2S)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]butanedioic acid
CID 112732923
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 55093203

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 18161002) is 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is JNNRUGZGZMWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 381.06 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 18161002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).