3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one

C15H20BrN3O — CID 107399221

IUPAC3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
SMILESCCN(CC1CCC1)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H20BrN3O/c1-2-19(8-9-4-3-5-9)13-7-12-10(6-11(13)16)14(17)15(20)18-12/h6-7,9,14H,2-5,8,17H2,1H3,(H,18,20)
InChIKeySIDCZXPBKGYEPN-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one

3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 107399221) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
PubChem CID107399221
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
SMILESCCN(CC1CCC1)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H20BrN3O/c1-2-19(8-9-4-3-5-9)13-7-12-10(6-11(13)16)14(17)15(20)18-12/h6-7,9,14H,2-5,8,17H2,1H3,(H,18,20)
InChIKeySIDCZXPBKGYEPN-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-[cyclobutylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 107399220
3-amino-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
CID 107399204
3-amino-5-bromo-6-[methyl(2-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79342812
3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 79342572
3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
CID 79344380
3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79345048
3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 62861507
5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 79343711
5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336739
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
CID 79344189
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one (CID 107399221) is 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one is CCN(CC1CCC1)c1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is SIDCZXPBKGYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-2-19(8-9-4-3-5-9)13-7-12-10(6-11(13)16)14(17)15(20)18-12/h6-7,9,14H,2-5,8,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 338.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 107399221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).