5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one

C14H17BrN2O — CID 43189941

IUPAC5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NC1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-9-6-7-12-11(8-9)13(14(18)17-12)16-10-4-2-1-3-5-10/h6-8,10,13,16H,1-5H2,(H,17,18)
InChIKeyNAMVVRYVLITLPN-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.36
Rot. Bonds2

About 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one

5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one (PubChem CID 43189941) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
PubChem CID43189941
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NC1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-9-6-7-12-11(8-9)13(14(18)17-12)16-10-4-2-1-3-5-10/h6-8,10,13,16H,1-5H2,(H,17,18)
InChIKeyNAMVVRYVLITLPN-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one (CID 43189941) is 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1NC1CCCCC1.
What is the InChIKey of 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one?
The InChIKey is NAMVVRYVLITLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-9-6-7-12-11(8-9)13(14(18)17-12)16-10-4-2-1-3-5-10/h6-8,10,13,16H,1-5H2,(H,17,18).
What are the key properties of 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one has a molecular weight of 309.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43189941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).