N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide

C15H18BrNO2 — CID 114823296

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC2c3ccccc3CC2Br)CO1
InChIInChI=1S/C15H18BrNO2/c1-9-6-11(8-19-9)15(18)17-14-12-5-3-2-4-10(12)7-13(14)16/h2-5,9,11,13-14H,6-8H2,1H3,(H,17,18)
InChIKeyVAZHJJOEJIXABZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.59
Rot. Bonds2

About N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide (PubChem CID 114823296) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide
PubChem CID114823296
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC2c3ccccc3CC2Br)CO1
InChIInChI=1S/C15H18BrNO2/c1-9-6-11(8-19-9)15(18)17-14-12-5-3-2-4-10(12)7-13(14)16/h2-5,9,11,13-14H,6-8H2,1H3,(H,17,18)
InChIKeyVAZHJJOEJIXABZ-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)oxolane-3-carboxamide
CID 114824868
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylsulfanylpropanamide
CID 114312848
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312884
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide
CID 102738971
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylsulfonylpropanamide
CID 114983105
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
CID 114312817
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide
CID 102677288
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide
CID 114312904

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide (CID 114823296) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC2c3ccccc3CC2Br)CO1.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is VAZHJJOEJIXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-9-6-11(8-19-9)15(18)17-14-12-5-3-2-4-10(12)7-13(14)16/h2-5,9,11,13-14H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).