7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide

C10H8BrNO2 — CID 130038915

IUPAC7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide
SMILESNC(=O)c1cc(Br)c2c(c1)C(=O)CC2
InChIInChI=1S/C10H8BrNO2/c11-8-4-5(10(12)14)3-7-6(8)1-2-9(7)13/h3-4H,1-2H2,(H2,12,14)
InChIKeySHYBBEWXHSWZGY-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.68
Rot. Bonds1

About 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide

7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide (PubChem CID 130038915) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide
PubChem CID130038915
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide
SMILESNC(=O)c1cc(Br)c2c(c1)C(=O)CC2
InChIInChI=1S/C10H8BrNO2/c11-8-4-5(10(12)14)3-7-6(8)1-2-9(7)13/h3-4H,1-2H2,(H2,12,14)
InChIKeySHYBBEWXHSWZGY-UHFFFAOYSA-N
XLogP1.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide?
The IUPAC name of 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide (CID 130038915) is 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide.
What is the SMILES notation for 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide?
The canonical SMILES for 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide is NC(=O)c1cc(Br)c2c(c1)C(=O)CC2.
What is the InChIKey of 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide?
The InChIKey is SHYBBEWXHSWZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-8-4-5(10(12)14)3-7-6(8)1-2-9(7)13/h3-4H,1-2H2,(H2,12,14).
What are the key properties of 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide?
7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide has a molecular weight of 254.08 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-oxo-1,2-dihydroindene-5-carboxamide is sourced from PubChem (CID 130038915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).