1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol

C15H13FN2O3 — CID 107334564

IUPAC1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESO=[N+]([O-])c1cc(F)cc(NC2CCc3c(O)cccc32)c1
InChIInChI=1S/C15H13FN2O3/c16-9-6-10(8-11(7-9)18(20)21)17-14-5-4-13-12(14)2-1-3-15(13)19/h1-3,6-8,14,17,19H,4-5H2
InChIKeyIVCAQWYVXGSZIG-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.54
Rot. Bonds3

About 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol

1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 107334564) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID107334564
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESO=[N+]([O-])c1cc(F)cc(NC2CCc3c(O)cccc32)c1
InChIInChI=1S/C15H13FN2O3/c16-9-6-10(8-11(7-9)18(20)21)17-14-5-4-13-12(14)2-1-3-15(13)19/h1-3,6-8,14,17,19H,4-5H2
InChIKeyIVCAQWYVXGSZIG-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637015
1-(2-bromo-4-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43742368
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
1-[3-(difluoromethoxy)-4-nitroanilino]-2,3-dihydro-1H-inden-4-ol
CID 133428062
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 65435898
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide
CID 43636972
1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637127
1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107633285
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol
CID 83065641
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067494

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol (CID 107334564) is 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol is O=[N+]([O-])c1cc(F)cc(NC2CCc3c(O)cccc32)c1.
What is the InChIKey of 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is IVCAQWYVXGSZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-9-6-10(8-11(7-9)18(20)21)17-14-5-4-13-12(14)2-1-3-15(13)19/h1-3,6-8,14,17,19H,4-5H2.
What are the key properties of 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol?
1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol 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 1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 107334564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).