N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide

C14H18BrNO2 — CID 119035793

IUPACN-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)Nc1cc2c(cc1Br)CCC2
InChIInChI=1S/C14H18BrNO2/c1-9(8-18-2)14(17)16-13-7-11-5-3-4-10(11)6-12(13)15/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyUJATXEKEHUGXBE-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.16
Rot. Bonds4

About N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide

N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide (PubChem CID 119035793) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide
PubChem CID119035793
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)Nc1cc2c(cc1Br)CCC2
InChIInChI=1S/C14H18BrNO2/c1-9(8-18-2)14(17)16-13-7-11-5-3-4-10(11)6-12(13)15/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyUJATXEKEHUGXBE-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide (CID 119035793) is N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide is COCC(C)C(=O)Nc1cc2c(cc1Br)CCC2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide?
The InChIKey is UJATXEKEHUGXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9(8-18-2)14(17)16-13-7-11-5-3-4-10(11)6-12(13)15/h6-7,9H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide?
N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 119035793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).