2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one

C17H14ClFINO — CID 67252948

IUPAC2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one
SMILESCC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(I)c2C1=O
InChIInChI=1S/C17H14ClFINO/c1-10(6-11-2-4-13(18)5-3-11)21-9-12-7-14(19)8-15(20)16(12)17(21)22/h2-5,7-8,10H,6,9H2,1H3
InChIKeyVFPRBISEODUYRF-UHFFFAOYSA-N
MW429.66 g/mol
LogP4.67
Rot. Bonds3

About 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one

2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one (PubChem CID 67252948) has the molecular formula C17H14ClFINO and a molecular weight of 429.66 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one
PubChem CID67252948
Molecular FormulaC17H14ClFINO
Molecular Weight429.66 g/mol
Exact Mass428.98
IUPAC Name2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one
SMILESCC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(I)c2C1=O
InChIInChI=1S/C17H14ClFINO/c1-10(6-11-2-4-13(18)5-3-11)21-9-12-7-14(19)8-15(20)16(12)17(21)22/h2-5,7-8,10H,6,9H2,1H3
InChIKeyVFPRBISEODUYRF-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.66
LogP ≤ 54.67
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

4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
(R)-2-(1-phenylethyl)-4,5,6,7-tetrafluoro-1H-isoindole-1,3-dione
CID 464986
4,5,6,7-Tetrafluoro-2-(1-phenylethyl)isoindole-1,3-dione
CID 499999
1-(4-Chlorophenyl)-3-oxoisoindoline
CID 5073852
2-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]isoindole-1,3-dione
CID 18151770
2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-2,3-dihydro-isoindol-1-one
CID 44278267
2-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
CID 90655822
2-[5-[(3-Chlorophenyl)methyl-methylamino]pentyl]isoindole-1,3-dione;hydrochloride
CID 118729300
2-[6-[(3-Chlorophenyl)methyl-methylamino]hexyl]isoindole-1,3-dione;hydrochloride
CID 118729302
2-[7-[(3-Chlorophenyl)methyl-methylamino]heptyl]isoindole-1,3-dione;hydrochloride
CID 118729304
2-[8-[(3-Chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride
CID 118729306
2-[5-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]pentyl]isoindole-1,3-dione
CID 127029188

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one?
The IUPAC name of 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one (CID 67252948) is 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one?
The canonical SMILES for 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one is CC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(I)c2C1=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one?
The InChIKey is VFPRBISEODUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFINO/c1-10(6-11-2-4-13(18)5-3-11)21-9-12-7-14(19)8-15(20)16(12)17(21)22/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one?
2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one has a molecular weight of 429.66 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-7-iodo-3H-isoindol-1-one is sourced from PubChem (CID 67252948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).