(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

C17H16INO — CID 100527033

IUPAC(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1ccc(C(=O)N2c3ccccc3C[C@H]2C)c(I)c1
InChIInChI=1S/C17H16INO/c1-11-7-8-14(15(18)9-11)17(20)19-12(2)10-13-5-3-4-6-16(13)19/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyMSINUOSBGPMENY-GFCCVEGCSA-N
MW377.23 g/mol
LogP4.19
Rot. Bonds1

About (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 100527033) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID100527033
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC Name(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1ccc(C(=O)N2c3ccccc3C[C@H]2C)c(I)c1
InChIInChI=1S/C17H16INO/c1-11-7-8-14(15(18)9-11)17(20)19-12(2)10-13-5-3-4-6-16(13)19/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyMSINUOSBGPMENY-GFCCVEGCSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 7373194
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 84578405
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 104851784

Frequently Asked Questions

What is the IUPAC name of (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 100527033) is (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)c(I)c1.
What is the InChIKey of (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is MSINUOSBGPMENY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16INO/c1-11-7-8-14(15(18)9-11)17(20)19-12(2)10-13-5-3-4-6-16(13)19/h3-9,12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 377.23 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 100527033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).