(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone

C15H8Cl2INO — CID 103427836

IUPAC(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H8Cl2INO/c16-9-5-12(17)14-11(7-19-13(14)6-9)15(20)8-1-3-10(18)4-2-8/h1-7,19H
InChIKeyGVMVQSKKJLXCHI-UHFFFAOYSA-N
MW416.05 g/mol
LogP5.31
Rot. Bonds2

About (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone

(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone (PubChem CID 103427836) has the molecular formula C15H8Cl2INO and a molecular weight of 416.05 g/mol. Its IUPAC name is (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
PubChem CID103427836
Molecular FormulaC15H8Cl2INO
Molecular Weight416.05 g/mol
Exact Mass414.90
IUPAC Name(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H8Cl2INO/c16-9-5-12(17)14-11(7-19-13(14)6-9)15(20)8-1-3-10(18)4-2-8/h1-7,19H
InChIKeyGVMVQSKKJLXCHI-UHFFFAOYSA-N
XLogP5.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.05
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone?
The IUPAC name of (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone (CID 103427836) is (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone?
The InChIKey is GVMVQSKKJLXCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2INO/c16-9-5-12(17)14-11(7-19-13(14)6-9)15(20)8-1-3-10(18)4-2-8/h1-7,19H.
What are the key properties of (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone?
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone has a molecular weight of 416.05 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 103427836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).