2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide

C13H16BrNO — CID 107851248

IUPAC2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16BrNO/c1-13(2,14)12(16)15-11-7-9-5-3-4-6-10(9)8-11/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyCWTCCRLRQMKUGZ-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.44
Rot. Bonds2

About 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide

2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide (PubChem CID 107851248) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide
PubChem CID107851248
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16BrNO/c1-13(2,14)12(16)15-11-7-9-5-3-4-6-10(9)8-11/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyCWTCCRLRQMKUGZ-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 153368411
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2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide
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methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide (CID 107851248) is 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide is CC(C)(Br)C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide?
The InChIKey is CWTCCRLRQMKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-13(2,14)12(16)15-11-7-9-5-3-4-6-10(9)8-11/h3-6,11H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide?
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide has a molecular weight of 282.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide is sourced from PubChem (CID 107851248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).