N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide

C11H11BrN2O3 — CID 146380434

IUPACN-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(=O)Nc1c(Br)cc2c(c1[N+](=O)[O-])CCC2
InChIInChI=1S/C11H11BrN2O3/c1-6(15)13-10-9(12)5-7-3-2-4-8(7)11(10)14(16)17/h5H,2-4H2,1H3,(H,13,15)
InChIKeyOYCFKTFYNHGFOX-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.80
Rot. Bonds2

About N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide

N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 146380434) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID146380434
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC NameN-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(=O)Nc1c(Br)cc2c(c1[N+](=O)[O-])CCC2
InChIInChI=1S/C11H11BrN2O3/c1-6(15)13-10-9(12)5-7-3-2-4-8(7)11(10)14(16)17/h5H,2-4H2,1H3,(H,13,15)
InChIKeyOYCFKTFYNHGFOX-UHFFFAOYSA-N
XLogP2.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 25140754
5-bromo-4,6-dinitro-2,3-dihydro-1H-indene
CID 12887052
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
N-[6-bromo-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131862024
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)propan-2-one;1-(6-fluoro-4-nitro-2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 167661575
2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
CID 175837060
methyl 3-acetyloxy-4-nitro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 540559
N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
CID 102249243
8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
CID 162394434
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939
6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 12835978
N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
CID 75124042

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide (CID 146380434) is N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide is CC(=O)Nc1c(Br)cc2c(c1[N+](=O)[O-])CCC2.
What is the InChIKey of N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is OYCFKTFYNHGFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-6(15)13-10-9(12)5-7-3-2-4-8(7)11(10)14(16)17/h5H,2-4H2,1H3,(H,13,15).
What are the key properties of N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 299.12 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 146380434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).