1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea

C18H20BrN3O — CID 10309279

IUPAC1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCc1cccc2c1CCN2CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-5-4-8-17-14(13)9-11-22(17)12-10-20-18(23)21-16-7-3-2-6-15(16)19/h2-8H,9-12H2,1H3,(H2,20,21,23)
InChIKeyDEQZZWCPUAPZPE-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea

1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 10309279) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID10309279
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCc1cccc2c1CCN2CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-5-4-8-17-14(13)9-11-22(17)12-10-20-18(23)21-16-7-3-2-6-15(16)19/h2-8H,9-12H2,1H3,(H2,20,21,23)
InChIKeyDEQZZWCPUAPZPE-UHFFFAOYSA-N
XLogP3.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea (CID 10309279) is 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea is Cc1cccc2c1CCN2CCNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is DEQZZWCPUAPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-13-5-4-8-17-14(13)9-11-22(17)12-10-20-18(23)21-16-7-3-2-6-15(16)19/h2-8H,9-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 374.28 g/mol, XLogP of 3.94, 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-(4-methyl-2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 10309279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).