7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide

C17H17BrN2O3 — CID 11581622

IUPAC7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1Oc1ccc(Br)cc1O2
InChIInChI=1S/C17H17BrN2O3/c1-20(2)9-8-19-17(21)12-4-3-5-14-16(12)23-13-7-6-11(18)10-15(13)22-14/h3-7,10H,8-9H2,1-2H3,(H,19,21)
InChIKeyJQTGHAMSGWXBMZ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.64
Rot. Bonds4

About 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide

7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide (PubChem CID 11581622) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide
PubChem CID11581622
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1Oc1ccc(Br)cc1O2
InChIInChI=1S/C17H17BrN2O3/c1-20(2)9-8-19-17(21)12-4-3-5-14-16(12)23-13-7-6-11(18)10-15(13)22-14/h3-7,10H,8-9H2,1-2H3,(H,19,21)
InChIKeyJQTGHAMSGWXBMZ-UHFFFAOYSA-N
XLogP3.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
The IUPAC name of 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide (CID 11581622) is 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide.
What is the SMILES notation for 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
The canonical SMILES for 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide is CN(C)CCNC(=O)c1cccc2c1Oc1ccc(Br)cc1O2.
What is the InChIKey of 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
The InChIKey is JQTGHAMSGWXBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-20(2)9-8-19-17(21)12-4-3-5-14-16(12)23-13-7-6-11(18)10-15(13)22-14/h3-7,10H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide is sourced from PubChem (CID 11581622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).