4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol

C15H13FN2O3 — CID 83065641

IUPAC4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NC1CCc2c(F)cccc21
InChIInChI=1S/C15H13FN2O3/c16-12-3-1-2-11-10(12)5-7-13(11)17-14-6-4-9(19)8-15(14)18(20)21/h1-4,6,8,13,17,19H,5,7H2
InChIKeyMYNYVSOXUJCCPE-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.54
Rot. Bonds3

About 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol

4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol (PubChem CID 83065641) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol.

Molecular Properties

Compound Name4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol
PubChem CID83065641
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NC1CCc2c(F)cccc21
InChIInChI=1S/C15H13FN2O3/c16-12-3-1-2-11-10(12)5-7-13(11)17-14-6-4-9(19)8-15(14)18(20)21/h1-4,6,8,13,17,19H,5,7H2
InChIKeyMYNYVSOXUJCCPE-UHFFFAOYSA-N
XLogP3.54
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol 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-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065284
N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067494
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-3-nitrobenzamide
CID 52505874
1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43716642
1-(2-bromo-4-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43742368
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
N-(2-bromophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067708
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107527044
4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725762

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol?
The IUPAC name of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol (CID 83065641) is 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol.
What is the SMILES notation for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol?
The canonical SMILES for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1NC1CCc2c(F)cccc21.
What is the InChIKey of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol?
The InChIKey is MYNYVSOXUJCCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-3-1-2-11-10(12)5-7-13(11)17-14-6-4-9(19)8-15(14)18(20)21/h1-4,6,8,13,17,19H,5,7H2.
What are the key properties of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol?
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol has a molecular weight of 288.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol is sourced from PubChem (CID 83065641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).