4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid

C19H18FNO3 — CID 132971267

IUPAC4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)O)(C(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-19(12-17(22)23,14-6-8-15(20)9-7-14)18(24)21-11-10-13-4-2-3-5-16(13)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyPJFBHVQPZIMJND-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.15
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid

4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid (PubChem CID 132971267) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid
PubChem CID132971267
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)O)(C(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-19(12-17(22)23,14-6-8-15(20)9-7-14)18(24)21-11-10-13-4-2-3-5-16(13)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyPJFBHVQPZIMJND-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid (CID 132971267) is 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid is CC(CC(=O)O)(C(=O)N1CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid?
The InChIKey is PJFBHVQPZIMJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-19(12-17(22)23,14-6-8-15(20)9-7-14)18(24)21-11-10-13-4-2-3-5-16(13)21/h2-9H,10-12H2,1H3,(H,22,23).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid?
4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid has a molecular weight of 327.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-3-(4-fluorophenyl)-3-methyl-4-oxobutanoic acid is sourced from PubChem (CID 132971267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).