2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid

C16H14FNO3 — CID 107682089

IUPAC2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
SMILESO=C(O)c1cc(NC2CCc3cc(O)ccc32)ccc1F
InChIInChI=1S/C16H14FNO3/c17-14-5-2-10(8-13(14)16(20)21)18-15-6-1-9-7-11(19)3-4-12(9)15/h2-5,7-8,15,18-19H,1,6H2,(H,20,21)
InChIKeyHBZYJQSRVROMRL-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.33
Rot. Bonds3

About 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid

2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid (PubChem CID 107682089) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
PubChem CID107682089
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
SMILESO=C(O)c1cc(NC2CCc3cc(O)ccc32)ccc1F
InChIInChI=1S/C16H14FNO3/c17-14-5-2-10(8-13(14)16(20)21)18-15-6-1-9-7-11(19)3-4-12(9)15/h2-5,7-8,15,18-19H,1,6H2,(H,20,21)
InChIKeyHBZYJQSRVROMRL-UHFFFAOYSA-N
XLogP3.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 107682006
1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
CID 107681840
5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 107681837
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid (CID 107682089) is 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid is O=C(O)c1cc(NC2CCc3cc(O)ccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The InChIKey is HBZYJQSRVROMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-14-5-2-10(8-13(14)16(20)21)18-15-6-1-9-7-11(19)3-4-12(9)15/h2-5,7-8,15,18-19H,1,6H2,(H,20,21).
What are the key properties of 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid has a molecular weight of 287.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid is sourced from PubChem (CID 107682089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).