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

C15H13ClN2O2 — CID 115348856

IUPAC5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
SMILESO=[N+]([O-])c1ccc(NC2Cc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C15H13ClN2O2/c16-12-2-1-10-8-14(9-11(10)7-12)17-13-3-5-15(6-4-13)18(19)20/h1-7,14,17H,8-9H2
InChIKeyZBEVTVNDHDRDPG-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.83
Rot. Bonds3

About 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348856) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115348856
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
SMILESO=[N+]([O-])c1ccc(NC2Cc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C15H13ClN2O2/c16-12-2-1-10-8-14(9-11(10)7-12)17-13-3-5-15(6-4-13)18(19)20/h1-7,14,17H,8-9H2
InChIKeyZBEVTVNDHDRDPG-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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'}

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Related Compounds

N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348913
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-2-amine
CID 115348786
N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
CID 115348892
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348945
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
CID 104695824
CID 70381437
CID 70381437
N-[[4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1-oxothiane-4-carboxamide;fluoroform
CID 170575939
4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 60733842
1-chloro-4-nitrobenzene;ethane
CID 90737802
N-benzyl-5-nitro-2,3-dihydro-1H-inden-2-amine
CID 23211051

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine (CID 115348856) is 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine is O=[N+]([O-])c1ccc(NC2Cc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZBEVTVNDHDRDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-12-2-1-10-8-14(9-11(10)7-12)17-13-3-5-15(6-4-13)18(19)20/h1-7,14,17H,8-9H2.
What are the key properties of 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 288.73 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).