3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide

C12H15BrN2O2 — CID 114265433

IUPAC3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCc2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O2/c13-8-3-1-7-2-4-10(9(7)5-8)15-6-11(16)12(14)17/h1,3,5,10-11,15-16H,2,4,6H2,(H2,14,17)
InChIKeyWMKUDHVUSWKGJZ-UHFFFAOYSA-N
MW299.17 g/mol
LogP0.87
Rot. Bonds4

About 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide

3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide (PubChem CID 114265433) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide
PubChem CID114265433
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCc2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O2/c13-8-3-1-7-2-4-10(9(7)5-8)15-6-11(16)12(14)17/h1,3,5,10-11,15-16H,2,4,6H2,(H2,14,17)
InChIKeyWMKUDHVUSWKGJZ-UHFFFAOYSA-N
XLogP0.87
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide (CID 114265433) is 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNC1CCc2ccc(Br)cc21.
What is the InChIKey of 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide?
The InChIKey is WMKUDHVUSWKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-8-3-1-7-2-4-10(9(7)5-8)15-6-11(16)12(14)17/h1,3,5,10-11,15-16H,2,4,6H2,(H2,14,17).
What are the key properties of 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide?
3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide has a molecular weight of 299.17 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 114265433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).