1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid

C17H16FNO2 — CID 114346535

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(F)ccc1CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C17H16FNO2/c1-11-8-13(18)7-6-12(11)9-19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-8,15H,9-10H2,1H3,(H,20,21)
InChIKeyTZSYOLTZIWMRNL-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.32
Rot. Bonds3

About 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid

1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 114346535) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID114346535
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(F)ccc1CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C17H16FNO2/c1-11-8-13(18)7-6-12(11)9-19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-8,15H,9-10H2,1H3,(H,20,21)
InChIKeyTZSYOLTZIWMRNL-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 115982221
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565615
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565505
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757
1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565760
1-[(2-methylphenyl)methyl]-2-oxoazetidine-3-carboxylic acid
CID 82472302
1-[(E)-3-phenylprop-2-enyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563415
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
1-(3-methylsulfonylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565784
1-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 116616831

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid (CID 114346535) is 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid is Cc1cc(F)ccc1CN1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is TZSYOLTZIWMRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-8-13(18)7-6-12(11)9-19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-8,15H,9-10H2,1H3,(H,20,21).
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 114346535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).