(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone

C15H11BrINO — CID 113232778

IUPAC(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc(Br)ccc1I)N1Cc2ccccc2C1
InChIInChI=1S/C15H11BrINO/c16-12-5-6-14(17)13(7-12)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-7H,8-9H2
InChIKeyHBBZTXNPVCKTSF-UHFFFAOYSA-N
MW428.07 g/mol
LogP4.21
Rot. Bonds1

About (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone

(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 113232778) has the molecular formula C15H11BrINO and a molecular weight of 428.07 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID113232778
Molecular FormulaC15H11BrINO
Molecular Weight428.07 g/mol
Exact Mass426.91
IUPAC Name(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc(Br)ccc1I)N1Cc2ccccc2C1
InChIInChI=1S/C15H11BrINO/c16-12-5-6-14(17)13(7-12)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-7H,8-9H2
InChIKeyHBBZTXNPVCKTSF-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.07
LogP ≤ 54.21
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

(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 103830275
(5-bromo-2-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769373
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701
(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55049058
(5-bromo-2-iodophenyl)-(1,4-diazepan-1-yl)methanone
CID 113265244
(5-bromo-2-iodophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43391591
(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867
(5-bromo-2-chlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191013
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-iodophenyl)methanone
CID 103806414
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802745
(5-bromo-2-iodophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103602631

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 113232778) is (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1cc(Br)ccc1I)N1Cc2ccccc2C1.
What is the InChIKey of (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is HBBZTXNPVCKTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrINO/c16-12-5-6-14(17)13(7-12)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-7H,8-9H2.
What are the key properties of (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 428.07 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 113232778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).