1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

C17H15Br2N3O — CID 155514959

IUPAC1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H15Br2N3O/c18-12-7-13(19)9-14(8-12)22-17(23)20-6-5-11-10-21-16-4-2-1-3-15(11)16/h1-4,7-10,21H,5-6H2,(H2,20,22,23)
InChIKeyHBDAFIXWSNWUAZ-UHFFFAOYSA-N
MW437.14 g/mol
LogP5.06
Rot. Bonds4

About 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 155514959) has the molecular formula C17H15Br2N3O and a molecular weight of 437.14 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID155514959
Molecular FormulaC17H15Br2N3O
Molecular Weight437.14 g/mol
Exact Mass434.96
IUPAC Name1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C17H15Br2N3O/c18-12-7-13(19)9-14(8-12)22-17(23)20-6-5-11-10-21-16-4-2-1-3-15(11)16/h1-4,7-10,21H,5-6H2,(H2,20,22,23)
InChIKeyHBDAFIXWSNWUAZ-UHFFFAOYSA-N
XLogP5.06
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.14
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-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

Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 24650587
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 4584277
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 155514959) is 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ccccc12)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is HBDAFIXWSNWUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2N3O/c18-12-7-13(19)9-14(8-12)22-17(23)20-6-5-11-10-21-16-4-2-1-3-15(11)16/h1-4,7-10,21H,5-6H2,(H2,20,22,23).
What are the key properties of 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 437.14 g/mol, XLogP of 5.06, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 155514959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).