2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide

C11H13BrN2O2 — CID 112672562

IUPAC2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide
SMILESNC(=O)CONC1CCc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O2/c12-8-2-3-9-7(5-8)1-4-10(9)14-16-6-11(13)15/h2-3,5,10,14H,1,4,6H2,(H2,13,15)
InChIKeyCGHXWPCRWVUJRM-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds4

About 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide

2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide (PubChem CID 112672562) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide
PubChem CID112672562
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide
SMILESNC(=O)CONC1CCc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O2/c12-8-2-3-9-7(5-8)1-4-10(9)14-16-6-11(13)15/h2-3,5,10,14H,1,4,6H2,(H2,13,15)
InChIKeyCGHXWPCRWVUJRM-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673094
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115894121
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
CID 52510873
(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
CID 118139241
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine
CID 55062243
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
CID 136578972
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
1-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 110905317
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide (CID 112672562) is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide is NC(=O)CONC1CCc2cc(Br)ccc21.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide?
The InChIKey is CGHXWPCRWVUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-2-3-9-7(5-8)1-4-10(9)14-16-6-11(13)15/h2-3,5,10,14H,1,4,6H2,(H2,13,15).
What are the key properties of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide?
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide has a molecular weight of 285.14 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide is sourced from PubChem (CID 112672562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).