5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide

C11H12BrNO — CID 166828796

IUPAC5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCNC(=O)C1CCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO/c1-13-11(14)10-4-2-7-6-8(12)3-5-9(7)10/h3,5-6,10H,2,4H2,1H3,(H,13,14)
InChIKeyFMCUVJJFITUSAF-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.22
Rot. Bonds1

About 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide

5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 166828796) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID166828796
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCNC(=O)C1CCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO/c1-13-11(14)10-4-2-7-6-8(12)3-5-9(7)10/h3,5-6,10H,2,4H2,1H3,(H,13,14)
InChIKeyFMCUVJJFITUSAF-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide (CID 166828796) is 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide is CNC(=O)C1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is FMCUVJJFITUSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13-11(14)10-4-2-7-6-8(12)3-5-9(7)10/h3,5-6,10H,2,4H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 254.13 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 166828796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).