6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one

C16H21ClN2O — CID 64751941

IUPAC6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESCC1CC(C)CC(Nc2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C16H21ClN2O/c1-9-3-10(2)5-12(4-9)18-15-6-11-7-16(20)19-14(11)8-13(15)17/h6,8-10,12,18H,3-5,7H2,1-2H3,(H,19,20)
InChIKeyHZSYKCORZWAGGG-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.07
Rot. Bonds2

About 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one

6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one (PubChem CID 64751941) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one
PubChem CID64751941
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one
SMILESCC1CC(C)CC(Nc2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C16H21ClN2O/c1-9-3-10(2)5-12(4-9)18-15-6-11-7-16(20)19-14(11)8-13(15)17/h6,8-10,12,18H,3-5,7H2,1-2H3,(H,19,20)
InChIKeyHZSYKCORZWAGGG-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-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-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one (CID 64751941) is 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one is CC1CC(C)CC(Nc2cc3c(cc2Cl)NC(=O)C3)C1.
What is the InChIKey of 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is HZSYKCORZWAGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-9-3-10(2)5-12(4-9)18-15-6-11-7-16(20)19-14(11)8-13(15)17/h6,8-10,12,18H,3-5,7H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one?
6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 292.81 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 64751941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).