6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one

C14H17ClN2O — CID 82254506

IUPAC6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one
SMILESNc1cc2c(cc1Cl)CN(C1CCCCC1)C2=O
InChIInChI=1S/C14H17ClN2O/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)16/h6-7,10H,1-5,8,16H2
InChIKeyVDKSOYZHFUGJGR-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.21
Rot. Bonds1

About 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one

6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one (PubChem CID 82254506) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one
PubChem CID82254506
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one
SMILESNc1cc2c(cc1Cl)CN(C1CCCCC1)C2=O
InChIInChI=1S/C14H17ClN2O/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)16/h6-7,10H,1-5,8,16H2
InChIKeyVDKSOYZHFUGJGR-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-5-chloro-2-cyclohexyl-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one?
The IUPAC name of 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one (CID 82254506) is 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one.
What is the SMILES notation for 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one?
The canonical SMILES for 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one is Nc1cc2c(cc1Cl)CN(C1CCCCC1)C2=O.
What is the InChIKey of 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one?
The InChIKey is VDKSOYZHFUGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)16/h6-7,10H,1-5,8,16H2.
What are the key properties of 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one?
6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one has a molecular weight of 264.76 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-cyclohexyl-3H-isoindol-1-one is sourced from PubChem (CID 82254506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).