2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde

C16H13FINO — CID 174526567

IUPAC2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2c(I)cccc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H13FINO/c17-13-6-4-11(5-7-13)8-19-9-12-2-1-3-14(18)16(12)15(19)10-20/h1-7,10,15H,8-9H2
InChIKeySXLIZVPJXDARRT-UHFFFAOYSA-N
MW381.19 g/mol
LogP3.69
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde

2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174526567) has the molecular formula C16H13FINO and a molecular weight of 381.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174526567
Molecular FormulaC16H13FINO
Molecular Weight381.19 g/mol
Exact Mass381.00
IUPAC Name2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2c(I)cccc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H13FINO/c17-13-6-4-11(5-7-13)8-19-9-12-2-1-3-14(18)16(12)15(19)10-20/h1-7,10,15H,8-9H2
InChIKeySXLIZVPJXDARRT-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-Dihydroisoindol-2-yl)-2-(dimethylamino)-2-(2-fluorophenyl)ethanone
CID 72888102
2-(1-Benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde
CID 18965337
2-(S)-[bis-(2-methylbenzyl)-amino]-3-(3,5-difluorophenyl)-propionaldehyde
CID 86614992
3-[4,7-difluoro-2-[(4-fluorophenyl)methyl]-3-oxo-1H-isoindol-1-yl]propanal
CID 87419329
2-[Bis[(2-methylphenyl)methyl]amino]-3-(3,5-difluorophenyl)propanal
CID 87585912
2-(4-fluorophenyl)-2-(1H-isoquinolin-2-yl)acetaldehyde
CID 87668887
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propanal
CID 88274386
2-(4-Bromo-3-fluorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetaldehyde
CID 90284728
2-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylacetaldehyde
CID 123152476
2-(3-Fluoropyrrolidin-1-yl)-2-phenylacetaldehyde
CID 123895076
4-(4-Fluoro-1,3-dimethylideneisoindol-2-yl)hex-5-enal
CID 132133505
2-(2-Fluoropyrrolidin-1-yl)-2-phenylacetaldehyde
CID 173056825

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde (CID 174526567) is 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde is O=CC1c2c(I)cccc2CN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is SXLIZVPJXDARRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FINO/c17-13-6-4-11(5-7-13)8-19-9-12-2-1-3-14(18)16(12)15(19)10-20/h1-7,10,15H,8-9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde?
2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 381.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-7-iodo-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174526567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).