1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea

C17H20BrN3O — CID 24768236

IUPAC1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrN3O/c1-2-21(14-8-4-3-5-9-14)13-12-19-17(22)20-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H2,19,20,22)
InChIKeyIMWQSDVUAWAMRK-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.10
Rot. Bonds6

About 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea

1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea (PubChem CID 24768236) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea
PubChem CID24768236
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrN3O/c1-2-21(14-8-4-3-5-9-14)13-12-19-17(22)20-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H2,19,20,22)
InChIKeyIMWQSDVUAWAMRK-UHFFFAOYSA-N
XLogP4.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.10
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-(N-ethylanilino)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea (CID 24768236) is 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea is CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea?
The InChIKey is IMWQSDVUAWAMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-2-21(14-8-4-3-5-9-14)13-12-19-17(22)20-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea?
1-(2-bromophenyl)-3-[2-(N-ethylanilino)ethyl]urea has a molecular weight of 362.27 g/mol, XLogP of 4.10, 6 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-(N-ethylanilino)ethyl]urea is sourced from PubChem (CID 24768236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).