2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid

C17H15NO3 — CID 58765445

IUPAC2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1CCN2C(=O)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(20)11-13-7-4-8-15-14(13)9-10-18(15)17(21)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyHCHUDRUCKFETBW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid

2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid (PubChem CID 58765445) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
PubChem CID58765445
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1CCN2C(=O)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(20)11-13-7-4-8-15-14(13)9-10-18(15)17(21)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyHCHUDRUCKFETBW-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
CID 58765450
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone
CID 126813047
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 121204163
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid?
The IUPAC name of 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid (CID 58765445) is 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid?
The canonical SMILES for 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid is O=C(O)Cc1cccc2c1CCN2C(=O)c1ccccc1.
What is the InChIKey of 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid?
The InChIKey is HCHUDRUCKFETBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(20)11-13-7-4-8-15-14(13)9-10-18(15)17(21)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid?
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid is sourced from PubChem (CID 58765445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).