N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide

C15H16N4O3 — CID 71821715

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H16N4O3/c1-10-16-14(19(21)22)8-18(10)9-15(20)17-13-7-6-11-4-2-3-5-12(11)13/h2-5,8,13H,6-7,9H2,1H3,(H,17,20)
InChIKeyOOPCQRLQUGUJTC-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.90
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide (PubChem CID 71821715) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
PubChem CID71821715
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H16N4O3/c1-10-16-14(19(21)22)8-18(10)9-15(20)17-13-7-6-11-4-2-3-5-12(11)13/h2-5,8,13H,6-7,9H2,1H3,(H,17,20)
InChIKeyOOPCQRLQUGUJTC-UHFFFAOYSA-N
XLogP1.90
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-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

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 71959987
2-(2-methyl-4-nitroimidazol-1-yl)-N-phenylacetamide
CID 42644444
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7890107
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 51642054
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 26202111
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55402922
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 17464756
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide (CID 71821715) is N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide is Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The InChIKey is OOPCQRLQUGUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-16-14(19(21)22)8-18(10)9-15(20)17-13-7-6-11-4-2-3-5-12(11)13/h2-5,8,13H,6-7,9H2,1H3,(H,17,20).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide has a molecular weight of 300.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 71821715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).