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

C16H14FNO2 — CID 83065262

IUPAC4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCc3c(F)cccc32)cc1
InChIInChI=1S/C16H14FNO2/c17-14-3-1-2-13-12(14)8-9-15(13)18-11-6-4-10(5-7-11)16(19)20/h1-7,15,18H,8-9H2,(H,19,20)
InChIKeyDFNMDWSAOHQVSW-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.62
Rot. Bonds3

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

4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid (PubChem CID 83065262) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
PubChem CID83065262
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCc3c(F)cccc32)cc1
InChIInChI=1S/C16H14FNO2/c17-14-3-1-2-13-12(14)8-9-15(13)18-11-6-4-10(5-7-11)16(19)20/h1-7,15,18H,8-9H2,(H,19,20)
InChIKeyDFNMDWSAOHQVSW-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

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Related Compounds

N-(4-chlorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067484
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
4-fluoro-N-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83067325
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 79489715
N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104776130
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid
CID 83068949
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-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637127

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The IUPAC name of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid (CID 83065262) is 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid is O=C(O)c1ccc(NC2CCc3c(F)cccc32)cc1.
What is the InChIKey of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
The InChIKey is DFNMDWSAOHQVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-3-1-2-13-12(14)8-9-15(13)18-11-6-4-10(5-7-11)16(19)20/h1-7,15,18H,8-9H2,(H,19,20).
What are the key properties of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid?
4-[(4-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 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid is sourced from PubChem (CID 83065262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).