4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide

C16H15N3O3 — CID 42925944

IUPAC4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)NC2CCc3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c17-13-7-5-11(9-15(13)19(21)22)16(20)18-14-8-6-10-3-1-2-4-12(10)14/h1-5,7,9,14H,6,8,17H2,(H,18,20)
InChIKeyDSGMRNOOTUHKTE-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.59
Rot. Bonds3

About 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide (PubChem CID 42925944) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
PubChem CID42925944
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)NC2CCc3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c17-13-7-5-11(9-15(13)19(21)22)16(20)18-14-8-6-10-3-1-2-4-12(10)14/h1-5,7,9,14H,6,8,17H2,(H,18,20)
InChIKeyDSGMRNOOTUHKTE-UHFFFAOYSA-N
XLogP2.59
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide 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

4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785
N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
CID 51301435
4-(4-acetylpiperazin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 55458056
3-nitro-4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7891549
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
CID 51301434
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
4-imidazol-1-yl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5000431
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
CID 52740733
4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7891552
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
4-chloro-3-nitro-N-[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]benzamide
CID 8927013

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide (CID 42925944) is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide is Nc1ccc(C(=O)NC2CCc3ccccc32)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide?
The InChIKey is DSGMRNOOTUHKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-13-7-5-11(9-15(13)19(21)22)16(20)18-14-8-6-10-3-1-2-4-12(10)14/h1-5,7,9,14H,6,8,17H2,(H,18,20).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide?
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide has a molecular weight of 297.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide is sourced from PubChem (CID 42925944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).