5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one

C17H17BrN2O — CID 43491531

IUPAC5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cccc(Br)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H17BrN2O/c1-2-19-17(11-4-3-5-14(18)9-11)12-6-7-15-13(8-12)10-16(21)20-15/h3-9,17,19H,2,10H2,1H3,(H,20,21)
InChIKeyYHIDIQJLWZPHGY-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.64
Rot. Bonds4

About 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one

5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 43491531) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID43491531
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cccc(Br)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H17BrN2O/c1-2-19-17(11-4-3-5-14(18)9-11)12-6-7-15-13(8-12)10-16(21)20-15/h3-9,17,19H,2,10H2,1H3,(H,20,21)
InChIKeyYHIDIQJLWZPHGY-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 43496622
6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490884
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
5-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103556239

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one (CID 43491531) is 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one is CCNC(c1cccc(Br)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is YHIDIQJLWZPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-2-19-17(11-4-3-5-14(18)9-11)12-6-7-15-13(8-12)10-16(21)20-15/h3-9,17,19H,2,10H2,1H3,(H,20,21).
What are the key properties of 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one?
5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 345.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43491531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).