N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

C15H13ClN2O2 — CID 82863704

IUPACN-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(NC2CCc3ccccc32)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-13-9-11(6-8-15(13)18(19)20)17-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,17H,5,7H2
InChIKeyDAZZCTWZWWLLSK-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.35
Rot. Bonds3

About N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 82863704) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID82863704
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(NC2CCc3ccccc32)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-13-9-11(6-8-15(13)18(19)20)17-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,17H,5,7H2
InChIKeyDAZZCTWZWWLLSK-UHFFFAOYSA-N
XLogP4.35
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.35
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-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (CID 82863704) is N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is O=[N+]([O-])c1ccc(NC2CCc3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DAZZCTWZWWLLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-9-11(6-8-15(13)18(19)20)17-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,17H,5,7H2.
What are the key properties of N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 288.73 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 82863704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).