3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide

C19H21IN2O — CID 100514224

IUPAC3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C19H21IN2O/c1-14-12-15-6-2-3-9-18(15)22(14)11-5-10-21-19(23)16-7-4-8-17(20)13-16/h2-4,6-9,13-14H,5,10-12H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyJEBWXSWAOFHPNG-CQSZACIVSA-N
MW420.29 g/mol
LogP3.86
Rot. Bonds5

About 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide

3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide (PubChem CID 100514224) has the molecular formula C19H21IN2O and a molecular weight of 420.29 g/mol. Its IUPAC name is 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
PubChem CID100514224
Molecular FormulaC19H21IN2O
Molecular Weight420.29 g/mol
Exact Mass420.07
IUPAC Name3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C19H21IN2O/c1-14-12-15-6-2-3-9-18(15)22(14)11-5-10-21-19(23)16-7-4-8-17(20)13-16/h2-4,6-9,13-14H,5,10-12H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyJEBWXSWAOFHPNG-CQSZACIVSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100614763
1-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-2-oxopyridine-4-carboxamide
CID 95235616
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3,5-dinitrobenzamide
CID 60599573
N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95238811
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
CID 60616291
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-iodobenzamide
CID 37095031
methyl 3-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propylcarbamothioylamino]benzoate
CID 100740469
methyl 3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylcarbamothioylamino]benzoate
CID 125047844
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The IUPAC name of 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide (CID 100514224) is 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide.
What is the SMILES notation for 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The canonical SMILES for 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide is C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
The InChIKey is JEBWXSWAOFHPNG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21IN2O/c1-14-12-15-6-2-3-9-18(15)22(14)11-5-10-21-19(23)16-7-4-8-17(20)13-16/h2-4,6-9,13-14H,5,10-12H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide?
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide has a molecular weight of 420.29 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide is sourced from PubChem (CID 100514224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).