N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide

C14H18BrNO2 — CID 106894260

IUPACN-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCC(Br)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H18BrNO2/c1-18-9-13(15)8-16-14(17)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-13H,6-9H2,1H3,(H,16,17)
InChIKeyJHLGXUOSRUYOMX-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.93
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894260) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894260
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCC(Br)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H18BrNO2/c1-18-9-13(15)8-16-14(17)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-13H,6-9H2,1H3,(H,16,17)
InChIKeyJHLGXUOSRUYOMX-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106894260) is N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide is COCC(Br)CNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is JHLGXUOSRUYOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-9-13(15)8-16-14(17)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-13H,6-9H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).