6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one

C17H23ClN2O — CID 65084091

IUPAC6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one
SMILESCC1(C)CCCC(Nc2cc3c(cc2Cl)NC(=O)C3)CC1
InChIInChI=1S/C17H23ClN2O/c1-17(2)6-3-4-12(5-7-17)19-15-8-11-9-16(21)20-14(11)10-13(15)18/h8,10,12,19H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyAGWSIXYPZJZDOU-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.61
Rot. Bonds2

About 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one

6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one (PubChem CID 65084091) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one
PubChem CID65084091
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one
SMILESCC1(C)CCCC(Nc2cc3c(cc2Cl)NC(=O)C3)CC1
InChIInChI=1S/C17H23ClN2O/c1-17(2)6-3-4-12(5-7-17)19-15-8-11-9-16(21)20-14(11)10-13(15)18/h8,10,12,19H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyAGWSIXYPZJZDOU-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one (CID 65084091) is 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one is CC1(C)CCCC(Nc2cc3c(cc2Cl)NC(=O)C3)CC1.
What is the InChIKey of 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is AGWSIXYPZJZDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-17(2)6-3-4-12(5-7-17)19-15-8-11-9-16(21)20-14(11)10-13(15)18/h8,10,12,19H,3-7,9H2,1-2H3,(H,20,21).
What are the key properties of 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one?
6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 306.84 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 65084091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).