3-bromo-1-benzoselenophene-2-carboxamide

C9H6BrNOSe — CID 15311358

IUPAC3-bromo-1-benzoselenophene-2-carboxamide
SMILESNC(=O)c1[se]c2ccccc2c1Br
InChIInChI=1S/C9H6BrNOSe/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12)
InChIKeyLOJIQBMRBZBRQA-UHFFFAOYSA-N
MW303.02 g/mol
LogP1.76
Rot. Bonds1

About 3-bromo-1-benzoselenophene-2-carboxamide

3-bromo-1-benzoselenophene-2-carboxamide (PubChem CID 15311358) has the molecular formula C9H6BrNOSe and a molecular weight of 303.02 g/mol. Its IUPAC name is 3-bromo-1-benzoselenophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-benzoselenophene-2-carboxamide
PubChem CID15311358
Molecular FormulaC9H6BrNOSe
Molecular Weight303.02 g/mol
Exact Mass302.88
IUPAC Name3-bromo-1-benzoselenophene-2-carboxamide
SMILESNC(=O)c1[se]c2ccccc2c1Br
InChIInChI=1S/C9H6BrNOSe/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12)
InChIKeyLOJIQBMRBZBRQA-UHFFFAOYSA-N
XLogP1.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-benzoselenophene-2-carboxylic acid
CID 560670
2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide
CID 161262643
(3-methyl-1-benzoselenophen-2-yl)-phenylmethanone
CID 134938353
molecular iodine;selenoxanthen-9-one
CID 134913960
CID 129133768
CID 129133768
dibenzoselenophen-1-amine
CID 164938107
ethyl dibenzoselenophene-1-carboxylate
CID 86218892
carbamic acid;naphthalene
CID 162082147
2-bromobenzamide;hydrochloride
CID 68911907
methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
CID 66701306
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-benzoselenophene-2-carboxamide?
The IUPAC name of 3-bromo-1-benzoselenophene-2-carboxamide (CID 15311358) is 3-bromo-1-benzoselenophene-2-carboxamide.
What is the SMILES notation for 3-bromo-1-benzoselenophene-2-carboxamide?
The canonical SMILES for 3-bromo-1-benzoselenophene-2-carboxamide is NC(=O)c1[se]c2ccccc2c1Br.
What is the InChIKey of 3-bromo-1-benzoselenophene-2-carboxamide?
The InChIKey is LOJIQBMRBZBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOSe/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12).
What are the key properties of 3-bromo-1-benzoselenophene-2-carboxamide?
3-bromo-1-benzoselenophene-2-carboxamide has a molecular weight of 303.02 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-benzoselenophene-2-carboxamide is sourced from PubChem (CID 15311358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).