1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea

C17H18BrN3O — CID 10126139

IUPAC1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea
SMILESO=C(NCCN1CCc2ccccc21)Nc1ccccc1Br
InChIInChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)19-10-12-21-11-9-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H2,19,20,22)
InChIKeyAJASXIRNOLANGA-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.63
Rot. Bonds4

About 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea

1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 10126139) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID10126139
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea
SMILESO=C(NCCN1CCc2ccccc21)Nc1ccccc1Br
InChIInChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)19-10-12-21-11-9-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H2,19,20,22)
InChIKeyAJASXIRNOLANGA-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea (CID 10126139) is 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea is O=C(NCCN1CCc2ccccc21)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is AJASXIRNOLANGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)19-10-12-21-11-9-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H2,19,20,22).
What are the key properties of 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 360.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 10126139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).