2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide

C13H15Br2NO3 — CID 2788423

IUPAC2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCC1CCCO1
InChIInChI=1S/C13H15Br2NO3/c14-9-3-4-12(11(15)6-9)19-8-13(17)16-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,17)
InChIKeyPXUXHMBUWFRXSZ-UHFFFAOYSA-N
MW393.08 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide

2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2788423) has the molecular formula C13H15Br2NO3 and a molecular weight of 393.08 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2788423
Molecular FormulaC13H15Br2NO3
Molecular Weight393.08 g/mol
Exact Mass390.94
IUPAC Name2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCC1CCCO1
InChIInChI=1S/C13H15Br2NO3/c14-9-3-4-12(11(15)6-9)19-8-13(17)16-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,17)
InChIKeyPXUXHMBUWFRXSZ-UHFFFAOYSA-N
XLogP2.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[2-(1-pyrrolidinyl)ethyl]acetamide
CID 23723164
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
2-(2-bromophenoxy)-N-cyclopentylacetamide
CID 729424
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide
CID 2632577
N-(cyclopentylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 2632678
N-cyclopentyl-2-(2,4-dibromophenoxy)acetamide
CID 2632827
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 7847588
2-(2,4-dibromophenoxy)-N-(ethylcarbamoyl)propanamide
CID 16196796
2-phenoxy-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2853002
2-(2-bromo-4-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2392820
2-(4-bromophenoxy)-N-cyclopropylacetamide
CID 2631886

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide (CID 2788423) is 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(Br)cc1Br)NCC1CCCO1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PXUXHMBUWFRXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO3/c14-9-3-4-12(11(15)6-9)19-8-13(17)16-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,17).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 393.08 g/mol, XLogP of 2.89, 5 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2788423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).