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

C16H14FNO2 — CID 116530834

IUPAC3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C16H14FNO2/c17-12-5-6-14-10(8-12)4-7-15(14)18-13-3-1-2-11(9-13)16(19)20/h1-3,5-6,8-9,15,18H,4,7H2,(H,19,20)
InChIKeyZUALGICVNPMOOS-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.62
Rot. Bonds3

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

3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid (PubChem CID 116530834) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
PubChem CID116530834
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C16H14FNO2/c17-12-5-6-14-10(8-12)4-7-15(14)18-13-3-1-2-11(9-13)16(19)20/h1-3,5-6,8-9,15,18H,4,7H2,(H,19,20)
InChIKeyZUALGICVNPMOOS-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939
3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371
3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid
CID 122032178
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoic acid
CID 43774510
4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The IUPAC name of 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid (CID 116530834) is 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The canonical SMILES for 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid is O=C(O)c1cccc(NC2CCc3cc(F)ccc32)c1.
What is the InChIKey of 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The InChIKey is ZUALGICVNPMOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-12-5-6-14-10(8-12)4-7-15(14)18-13-3-1-2-11(9-13)16(19)20/h1-3,5-6,8-9,15,18H,4,7H2,(H,19,20).
What are the key properties of 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid has a molecular weight of 271.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid is sourced from PubChem (CID 116530834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).