4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide

C17H15IN2O2 — CID 90075277

IUPAC4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
SMILESNC(=O)c1ccc2c(c1)CCN2Cc1ccc(C(=O)I)cc1
InChIInChI=1S/C17H15IN2O2/c18-16(21)12-3-1-11(2-4-12)10-20-8-7-13-9-14(17(19)22)5-6-15(13)20/h1-6,9H,7-8,10H2,(H2,19,22)
InChIKeyQQNYRAVZWJCFRQ-UHFFFAOYSA-N
MW406.22 g/mol
LogP2.92
Rot. Bonds4

About 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide

4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide (PubChem CID 90075277) has the molecular formula C17H15IN2O2 and a molecular weight of 406.22 g/mol. Its IUPAC name is 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide.

Molecular Properties

Compound Name4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
PubChem CID90075277
Molecular FormulaC17H15IN2O2
Molecular Weight406.22 g/mol
Exact Mass406.02
IUPAC Name4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
SMILESNC(=O)c1ccc2c(c1)CCN2Cc1ccc(C(=O)I)cc1
InChIInChI=1S/C17H15IN2O2/c18-16(21)12-3-1-11(2-4-12)10-20-8-7-13-9-14(17(19)22)5-6-15(13)20/h1-6,9H,7-8,10H2,(H2,19,22)
InChIKeyQQNYRAVZWJCFRQ-UHFFFAOYSA-N
XLogP2.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
4-[[5-[(3,3-dimethylbutylamino)methyl]-2,3-dihydroindol-1-yl]methyl]benzamide
CID 11199378
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 130230501
1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662248
2,2,2-trifluoroethyl 1-benzyl-2,3-dihydroindole-5-carboxylate
CID 156703137
4-[[6-(1,3-diiminopropan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 123808114
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 106865343

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide?
The IUPAC name of 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide (CID 90075277) is 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide.
What is the SMILES notation for 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide?
The canonical SMILES for 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide is NC(=O)c1ccc2c(c1)CCN2Cc1ccc(C(=O)I)cc1.
What is the InChIKey of 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide?
The InChIKey is QQNYRAVZWJCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O2/c18-16(21)12-3-1-11(2-4-12)10-20-8-7-13-9-14(17(19)22)5-6-15(13)20/h1-6,9H,7-8,10H2,(H2,19,22).
What are the key properties of 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide?
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide has a molecular weight of 406.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide is sourced from PubChem (CID 90075277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).