1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea

C18H19BrN2O — CID 108905100

IUPAC1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)N/C=C/c1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c1-2-21(14-15-8-4-3-5-9-15)18(22)20-13-12-16-10-6-7-11-17(16)19/h3-13H,2,14H2,1H3,(H,20,22)/b13-12+
InChIKeyMCRCWLOPTXWTNK-OUKQBFOZSA-N
MW359.27 g/mol
LogP4.65
Rot. Bonds5

About 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea

1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea (PubChem CID 108905100) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea
PubChem CID108905100
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)N/C=C/c1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c1-2-21(14-15-8-4-3-5-9-15)18(22)20-13-12-16-10-6-7-11-17(16)19/h3-13H,2,14H2,1H3,(H,20,22)/b13-12+
InChIKeyMCRCWLOPTXWTNK-OUKQBFOZSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108905138
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea
CID 108911414
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108905287
(E)-N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2-bromophenyl)prop-2-enamide
CID 34332374
1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea
CID 112971044
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea?
The IUPAC name of 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea (CID 108905100) is 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea?
The canonical SMILES for 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea is CCN(Cc1ccccc1)C(=O)N/C=C/c1ccccc1Br.
What is the InChIKey of 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea?
The InChIKey is MCRCWLOPTXWTNK-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-2-21(14-15-8-4-3-5-9-15)18(22)20-13-12-16-10-6-7-11-17(16)19/h3-13H,2,14H2,1H3,(H,20,22)/b13-12+.
What are the key properties of 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea?
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea has a molecular weight of 359.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea is sourced from PubChem (CID 108905100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).