1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone

C17H13FINO2 — CID 170307381

IUPAC1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone
SMILESCOc1ccc2c(c1)cc(C(=O)CI)n2-c1ccc(F)cc1
InChIInChI=1S/C17H13FINO2/c1-22-14-6-7-15-11(8-14)9-16(17(21)10-19)20(15)13-4-2-12(18)3-5-13/h2-9H,10H2,1H3
InChIKeyMBVJQHYMWXDXMI-UHFFFAOYSA-N
MW409.20 g/mol
LogP4.40
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone

1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone (PubChem CID 170307381) has the molecular formula C17H13FINO2 and a molecular weight of 409.20 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone
PubChem CID170307381
Molecular FormulaC17H13FINO2
Molecular Weight409.20 g/mol
Exact Mass409.00
IUPAC Name1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone
SMILESCOc1ccc2c(c1)cc(C(=O)CI)n2-c1ccc(F)cc1
InChIInChI=1S/C17H13FINO2/c1-22-14-6-7-15-11(8-14)9-16(17(21)10-19)20(15)13-4-2-12(18)3-5-13/h2-9H,10H2,1H3
InChIKeyMBVJQHYMWXDXMI-UHFFFAOYSA-N
XLogP4.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone 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

ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356
ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
CID 101012963
2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
CID 66920511
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
2-chloro-1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857576
6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19783731
1-(4-fluorophenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone bromide
CID 45053839
1-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone
CID 4743766
5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 154079979
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
6-amino-5-(4-fluorobenzoyl)-1-(4-methoxyphenyl)pyridin-2-one
CID 58608709

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone (CID 170307381) is 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone is COc1ccc2c(c1)cc(C(=O)CI)n2-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone?
The InChIKey is MBVJQHYMWXDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FINO2/c1-22-14-6-7-15-11(8-14)9-16(17(21)10-19)20(15)13-4-2-12(18)3-5-13/h2-9H,10H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone?
1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone has a molecular weight of 409.20 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone is sourced from PubChem (CID 170307381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).