(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C16H14INO — CID 2943863

IUPAC(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(I)c1
InChIInChI=1S/C16H14INO/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13/h2-8,10-11H,9H2,1H3
InChIKeyCOKJBFKAGBIVAN-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.88
Rot. Bonds1

About (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 2943863) has the molecular formula C16H14INO and a molecular weight of 363.20 g/mol. Its IUPAC name is (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID2943863
Molecular FormulaC16H14INO
Molecular Weight363.20 g/mol
Exact Mass363.01
IUPAC Name(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(I)c1
InChIInChI=1S/C16H14INO/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13/h2-8,10-11H,9H2,1H3
InChIKeyCOKJBFKAGBIVAN-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
N-(2-cyanophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057792
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 2943863) is (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cccc(I)c1.
What is the InChIKey of (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is COKJBFKAGBIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13/h2-8,10-11H,9H2,1H3.
What are the key properties of (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 363.20 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 2943863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).