7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide

C16H20Br2N2O4 — CID 162655746

IUPAC7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
SMILESO=C(CCCCCCOc1ccc(Br)cc1Br)NN1CCOC1=O
InChIInChI=1S/C16H20Br2N2O4/c17-12-6-7-14(13(18)11-12)23-9-4-2-1-3-5-15(21)19-20-8-10-24-16(20)22/h6-7,11H,1-5,8-10H2,(H,19,21)
InChIKeyHYDVVJLLAMSPSJ-UHFFFAOYSA-N
MW464.15 g/mol
LogP4.02
Rot. Bonds9

About 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide

7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide (PubChem CID 162655746) has the molecular formula C16H20Br2N2O4 and a molecular weight of 464.15 g/mol. Its IUPAC name is 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide.

Molecular Properties

Compound Name7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
PubChem CID162655746
Molecular FormulaC16H20Br2N2O4
Molecular Weight464.15 g/mol
Exact Mass461.98
IUPAC Name7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
SMILESO=C(CCCCCCOc1ccc(Br)cc1Br)NN1CCOC1=O
InChIInChI=1S/C16H20Br2N2O4/c17-12-6-7-14(13(18)11-12)23-9-4-2-1-3-5-15(21)19-20-8-10-24-16(20)22/h6-7,11H,1-5,8-10H2,(H,19,21)
InChIKeyHYDVVJLLAMSPSJ-UHFFFAOYSA-N
XLogP4.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.15
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618
methyl 4-(2,4-dibromophenoxy)butanoate
CID 43378226
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
6-(2,4-dibromophenoxy)hexan-3-one
CID 106802046
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
5-(2,4-dibromophenoxy)pentanimidamide
CID 64718456
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-bromo-2-chlorophenoxy)acetate
CID 8943058
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
3-bromo-4-(8-methyl-7-oxonon-8-enoxy)benzoic acid
CID 54547953
2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 17459336
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 8881803

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
The IUPAC name of 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide (CID 162655746) is 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide.
What is the SMILES notation for 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
The canonical SMILES for 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide is O=C(CCCCCCOc1ccc(Br)cc1Br)NN1CCOC1=O.
What is the InChIKey of 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
The InChIKey is HYDVVJLLAMSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2O4/c17-12-6-7-14(13(18)11-12)23-9-4-2-1-3-5-15(21)19-20-8-10-24-16(20)22/h6-7,11H,1-5,8-10H2,(H,19,21).
What are the key properties of 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide has a molecular weight of 464.15 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide is sourced from PubChem (CID 162655746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).