5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one

C15H17ClFNO2 — CID 118193852

IUPAC5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cc(Cl)c(O)c2F)CN1CC1CCCCC1
InChIInChI=1S/C15H17ClFNO2/c16-11-6-10-8-18(7-9-4-2-1-3-5-9)15(20)12(10)13(17)14(11)19/h6,9,19H,1-5,7-8H2
InChIKeyABNPDKUYJOIVFN-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.72
Rot. Bonds2

About 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one

5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one (PubChem CID 118193852) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one
PubChem CID118193852
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cc(Cl)c(O)c2F)CN1CC1CCCCC1
InChIInChI=1S/C15H17ClFNO2/c16-11-6-10-8-18(7-9-4-2-1-3-5-9)15(20)12(10)13(17)14(11)19/h6,9,19H,1-5,7-8H2
InChIKeyABNPDKUYJOIVFN-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one 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

2-[(3-Chloranyl-4-Fluoranyl-Phenyl)methyl]-6,7-Bis(Oxidanyl)isoindol-1-One
CID 24774366
2-(3-Chloro-2-Fluorobenzyl)-6,7-Dihydroxy-2,3-Dihydro-1h-Isoindol-1-One
CID 44189323
2-(5-Chloro-2,4-difluorobenzyl)-6,7-dihydroxyisoindolin-1-one
CID 44189324
2-(4-Chloro-3-fluorobenzyl)-6,7-dihydroxyisoindolin-1-one
CID 45270545
2-[(5-Chloro-2-fluoro-phenyl)methyl]-6,7-dihydroxy-isoindolin-1-one
CID 45270546
8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 71460531
2-[2-(3-Chloro-4-fluoro-phenyl)ethyl]-6,7-dihydroxy-isoindolin-1-one
CID 129903757
2-[(5-chloro-2-fluorophenyl)methyl]-4,5-dihydroxy-3H-isoindol-1-one
CID 25196354
2-[(3-Chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione
CID 71032330
2-[[4-(1-aminoethyl)cyclohexyl]methyl]-5-chloro-7-fluoro-6-hydroxy-3H-isoindol-1-one
CID 118160961
1-[4-[(6-chloro-4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethylcarbamic acid
CID 118160977
2-((Trans-4-acetylcyclohexyl)methyl)-7-fluoro-6-hydroxyisoindolin-1-one
CID 118161038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one?
The IUPAC name of 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one (CID 118193852) is 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one is O=C1c2c(cc(Cl)c(O)c2F)CN1CC1CCCCC1.
What is the InChIKey of 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one?
The InChIKey is ABNPDKUYJOIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c16-11-6-10-8-18(7-9-4-2-1-3-5-9)15(20)12(10)13(17)14(11)19/h6,9,19H,1-5,7-8H2.
What are the key properties of 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one?
5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one has a molecular weight of 297.76 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclohexylmethyl)-7-fluoro-6-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 118193852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).