(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate

C15H11Br2N3O2 — CID 118201271

IUPAC(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(Br)cc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C15H11Br2N3O2/c1-20(2)15(21)22-14-9(17)7-8(16)12-13(14)19-11-6-4-3-5-10(11)18-12/h3-7H,1-2H3
InChIKeyIGWJNYHACZKNTR-UHFFFAOYSA-N
MW425.08 g/mol
LogP4.37
Rot. Bonds1

About (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate

(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate (PubChem CID 118201271) has the molecular formula C15H11Br2N3O2 and a molecular weight of 425.08 g/mol. Its IUPAC name is (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate
PubChem CID118201271
Molecular FormulaC15H11Br2N3O2
Molecular Weight425.08 g/mol
Exact Mass422.92
IUPAC Name(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(Br)cc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C15H11Br2N3O2/c1-20(2)15(21)22-14-9(17)7-8(16)12-13(14)19-11-6-4-3-5-10(11)18-12/h3-7H,1-2H3
InChIKeyIGWJNYHACZKNTR-UHFFFAOYSA-N
XLogP4.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.08
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate?
The IUPAC name of (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate (CID 118201271) is (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate?
The canonical SMILES for (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1c(Br)cc(Br)c2nc3ccccc3nc12.
What is the InChIKey of (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate?
The InChIKey is IGWJNYHACZKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O2/c1-20(2)15(21)22-14-9(17)7-8(16)12-13(14)19-11-6-4-3-5-10(11)18-12/h3-7H,1-2H3.
What are the key properties of (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate?
(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate has a molecular weight of 425.08 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 118201271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).