1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol

C15H13BrFNO — CID 107633285

IUPAC1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1cc(F)ccc1Br
InChIInChI=1S/C15H13BrFNO/c16-12-6-4-9(17)8-14(12)18-13-7-5-11-10(13)2-1-3-15(11)19/h1-4,6,8,13,18-19H,5,7H2
InChIKeyATPAJUPUJFJZGE-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.39
Rot. Bonds2

About 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol

1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 107633285) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID107633285
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1cc(F)ccc1Br
InChIInChI=1S/C15H13BrFNO/c16-12-6-4-9(17)8-14(12)18-13-7-5-11-10(13)2-1-3-15(11)19/h1-4,6,8,13,18-19H,5,7H2
InChIKeyATPAJUPUJFJZGE-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107527595
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 65435898
1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637015
1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43716642
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
1-(2-bromo-4-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43742368
1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637127
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637031
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide
CID 43636972
4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065284

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol (CID 107633285) is 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ATPAJUPUJFJZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-12-6-4-9(17)8-14(12)18-13-7-5-11-10(13)2-1-3-15(11)19/h1-4,6,8,13,18-19H,5,7H2.
What are the key properties of 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 322.18 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 107633285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).