1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

C19H23BrN4O — CID 15989532

IUPAC1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C19H23BrN4O/c20-16-5-4-6-17(15-16)22-19(25)21-9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H2,21,22,25)
InChIKeySYOKJUFJPXSYSF-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.39
Rot. Bonds5

About 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (PubChem CID 15989532) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
PubChem CID15989532
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C19H23BrN4O/c20-16-5-4-6-17(15-16)22-19(25)21-9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H2,21,22,25)
InChIKeySYOKJUFJPXSYSF-UHFFFAOYSA-N
XLogP3.39
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
1-(3-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3498030
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea
CID 10177660
1-(2-bromophenyl)-3-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]urea
CID 10294155
1-(2-Bromophenyl)-3-{2-[ethyl(phenyl)amino]ethyl}urea
CID 24768236
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
1-(2-Bromophenyl)-3-{2-[ethyl(3-fluorophenyl)amino]ethyl}urea
CID 24768239

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (CID 15989532) is 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is O=C(NCCN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The InChIKey is SYOKJUFJPXSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c20-16-5-4-6-17(15-16)22-19(25)21-9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H2,21,22,25).
What are the key properties of 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea has a molecular weight of 403.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 15989532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).