1-benzyl-3-[2-(3-bromophenyl)ethyl]urea

C16H17BrN2O — CID 108871346

IUPAC1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Br)c1)NCc1ccccc1
InChIInChI=1S/C16H17BrN2O/c17-15-8-4-7-13(11-15)9-10-18-16(20)19-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12H2,(H2,18,19,20)
InChIKeyGVFGNRMTZFYDJH-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.49
Rot. Bonds5

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

1-benzyl-3-[2-(3-bromophenyl)ethyl]urea (PubChem CID 108871346) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
PubChem CID108871346
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Br)c1)NCc1ccccc1
InChIInChI=1S/C16H17BrN2O/c17-15-8-4-7-13(11-15)9-10-18-16(20)19-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12H2,(H2,18,19,20)
InChIKeyGVFGNRMTZFYDJH-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[2-(3-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108901652
1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884611
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
CID 86952368
1-[(3-bromophenyl)methyl]-3-(2-cyanoethyl)urea
CID 108899023
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea (CID 108871346) is 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea is O=C(NCCc1cccc(Br)c1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea?
The InChIKey is GVFGNRMTZFYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-15-8-4-7-13(11-15)9-10-18-16(20)19-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12H2,(H2,18,19,20).
What are the key properties of 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea?
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea has a molecular weight of 333.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3-bromophenyl)ethyl]urea is sourced from PubChem (CID 108871346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).