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

C15H19ClN2O — CID 43457574

IUPAC5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCCC1
InChIInChI=1S/C15H19ClN2O/c16-12-8-13-10(7-14(19)18-13)6-11(12)15(17)9-4-2-1-3-5-9/h6,8-9,15H,1-5,7,17H2,(H,18,19)
InChIKeyMLWYBESUQBUSRJ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.41
Rot. Bonds2

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

5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43457574) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43457574
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCCC1
InChIInChI=1S/C15H19ClN2O/c16-12-8-13-10(7-14(19)18-13)6-11(12)15(17)9-4-2-1-3-5-9/h6,8-9,15H,1-5,7,17H2,(H,18,19)
InChIKeyMLWYBESUQBUSRJ-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43457516
5-[bromo(oxan-3-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63015097
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
CID 82174514
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457576
5-[bromo(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096789

Frequently Asked Questions

What is the IUPAC name of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 43457574) is 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one is NC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCCC1.
What is the InChIKey of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is MLWYBESUQBUSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-12-8-13-10(7-14(19)18-13)6-11(12)15(17)9-4-2-1-3-5-9/h6,8-9,15H,1-5,7,17H2,(H,18,19).
What are the key properties of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 278.78 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).