3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea

C18H20BrN3O — CID 108905138

IUPAC3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)N/C=C/c1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c1-2-22(14-10-15-7-11-20-12-8-15)18(23)21-13-9-16-5-3-4-6-17(16)19/h3-9,11-13H,2,10,14H2,1H3,(H,21,23)/b13-9+
InChIKeyVZOXJLNGBHQQRH-UKTHLTGXSA-N
MW374.28 g/mol
LogP4.09
Rot. Bonds6

About 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea

3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea (PubChem CID 108905138) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea
PubChem CID108905138
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)N/C=C/c1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c1-2-22(14-10-15-7-11-20-12-8-15)18(23)21-13-9-16-5-3-4-6-17(16)19/h3-9,11-13H,2,10,14H2,1H3,(H,21,23)/b13-9+
InChIKeyVZOXJLNGBHQQRH-UKTHLTGXSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663
3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea
CID 108866844
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796
1-ethyl-3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-ylethyl)urea
CID 110755015
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea
CID 108898368

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea (CID 108905138) is 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea is CCN(CCc1ccncc1)C(=O)N/C=C/c1ccccc1Br.
What is the InChIKey of 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea?
The InChIKey is VZOXJLNGBHQQRH-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-2-22(14-10-15-7-11-20-12-8-15)18(23)21-13-9-16-5-3-4-6-17(16)19/h3-9,11-13H,2,10,14H2,1H3,(H,21,23)/b13-9+.
What are the key properties of 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea?
3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea has a molecular weight of 374.28 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 108905138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).