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

C14H18ClN3O — CID 79458648

IUPAC5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
SMILESNC1CCCC(Nc2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C14H18ClN3O/c15-11-7-12-8(5-14(19)18-12)4-13(11)17-10-3-1-2-9(16)6-10/h4,7,9-10,17H,1-3,5-6,16H2,(H,18,19)
InChIKeyAKMCOUXXDHSXTK-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.52
Rot. Bonds2

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

5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 79458648) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
PubChem CID79458648
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
SMILESNC1CCCC(Nc2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C14H18ClN3O/c15-11-7-12-8(5-14(19)18-12)4-13(11)17-10-3-1-2-9(16)6-10/h4,7,9-10,17H,1-3,5-6,16H2,(H,18,19)
InChIKeyAKMCOUXXDHSXTK-UHFFFAOYSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one (CID 79458648) is 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one is NC1CCCC(Nc2cc3c(cc2Cl)NC(=O)C3)C1.
What is the InChIKey of 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is AKMCOUXXDHSXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-11-7-12-8(5-14(19)18-12)4-13(11)17-10-3-1-2-9(16)6-10/h4,7,9-10,17H,1-3,5-6,16H2,(H,18,19).
What are the key properties of 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one?
5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 279.77 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 79458648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).