1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid

C19H19NO3 — CID 120691674

IUPAC1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C19H19NO3/c1-12(2)13-7-9-14(10-8-13)18(21)20-11-16(19(22)23)15-5-3-4-6-17(15)20/h3-10,12,16H,11H2,1-2H3,(H,22,23)
InChIKeyBPGKZHNNRXHQQC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.64
Rot. Bonds3

About 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid

1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691674) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691674
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C19H19NO3/c1-12(2)13-7-9-14(10-8-13)18(21)20-11-16(19(22)23)15-5-3-4-6-17(15)20/h3-10,12,16H,11H2,1-2H3,(H,22,23)
InChIKeyBPGKZHNNRXHQQC-UHFFFAOYSA-N
XLogP3.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564506
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691790
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 104669848
1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691484
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574015
(3S)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609689
1-[3-(4-methoxyphenyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691427
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565160

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691674) is 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid is CC(C)c1ccc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is BPGKZHNNRXHQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12(2)13-7-9-14(10-8-13)18(21)20-11-16(19(22)23)15-5-3-4-6-17(15)20/h3-10,12,16H,11H2,1-2H3,(H,22,23).
What are the key properties of 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid?
1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).