4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one

C14H19BrN2O2 — CID 43207444

IUPAC4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one
SMILESCC(C)OCCCNC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C14H19BrN2O2/c1-9(2)19-8-4-7-16-13-12-10(15)5-3-6-11(12)17-14(13)18/h3,5-6,9,13,16H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyDQHQRGGOBBSCSS-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.85
Rot. Bonds6

About 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one

4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one (PubChem CID 43207444) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one
PubChem CID43207444
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one
SMILESCC(C)OCCCNC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C14H19BrN2O2/c1-9(2)19-8-4-7-16-13-12-10(15)5-3-6-11(12)17-14(13)18/h3,5-6,9,13,16H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyDQHQRGGOBBSCSS-UHFFFAOYSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196207
2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
CID 43551820
4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43191787
4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 43824479
3-(3-methoxypropylamino)-1,3-dihydroindol-2-one
CID 43205039
4-bromo-3-(3-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
CID 43195608
3-(ethylamino)-6-(2-propan-2-yloxyethoxy)-1,3-dihydroindol-2-one
CID 63370564
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
CID 43204518
2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 71977759
1-[(2-bromophenyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 108897917

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one (CID 43207444) is 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one is CC(C)OCCCNC1C(=O)Nc2cccc(Br)c21.
What is the InChIKey of 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one?
The InChIKey is DQHQRGGOBBSCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9(2)19-8-4-7-16-13-12-10(15)5-3-6-11(12)17-14(13)18/h3,5-6,9,13,16H,4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one?
4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one has a molecular weight of 327.22 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43207444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).