1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid

C16H12INO3 — CID 43196844

IUPAC1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1ccccc1I
InChIInChI=1S/C16H12INO3/c17-12-7-3-2-6-11(12)15(19)18-13-8-4-1-5-10(13)9-14(18)16(20)21/h1-8,14H,9H2,(H,20,21)
InChIKeySSSOSKXFDZRMFG-UHFFFAOYSA-N
MW393.18 g/mol
LogP2.95
Rot. Bonds2

About 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid

1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43196844) has the molecular formula C16H12INO3 and a molecular weight of 393.18 g/mol. Its IUPAC name is 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID43196844
Molecular FormulaC16H12INO3
Molecular Weight393.18 g/mol
Exact Mass392.99
IUPAC Name1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1ccccc1I
InChIInChI=1S/C16H12INO3/c17-12-7-3-2-6-11(12)15(19)18-13-8-4-1-5-10(13)9-14(18)16(20)21/h1-8,14H,9H2,(H,20,21)
InChIKeySSSOSKXFDZRMFG-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785
1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 112728200

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid (CID 43196844) is 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)c1ccccc1I.
What is the InChIKey of 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is SSSOSKXFDZRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO3/c17-12-7-3-2-6-11(12)15(19)18-13-8-4-1-5-10(13)9-14(18)16(20)21/h1-8,14H,9H2,(H,20,21).
What are the key properties of 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 393.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43196844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).