1-[2-(4-bromophenyl)ethyl]-3-ethenylurea

C11H13BrN2O — CID 108909361

IUPAC1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
SMILESC=CNC(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c1-2-13-11(15)14-8-7-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2,(H2,13,14,15)
InChIKeyNSJZQUBKVLMDEB-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea

1-[2-(4-bromophenyl)ethyl]-3-ethenylurea (PubChem CID 108909361) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
PubChem CID108909361
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
SMILESC=CNC(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c1-2-13-11(15)14-8-7-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2,(H2,13,14,15)
InChIKeyNSJZQUBKVLMDEB-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910473
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
(E)-N-[2-(4-bromophenyl)ethyl]but-2-enamide
CID 110478022
(Z)-4-[2-(4-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 91975323
4-[2-(4-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 71379311
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
1-[2-(4-bromophenyl)ethyl]-3-(2-methoxyethoxymethyl)urea
CID 108894589
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108902320
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea (CID 108909361) is 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea is C=CNC(=O)NCCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea?
The InChIKey is NSJZQUBKVLMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-2-13-11(15)14-8-7-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2,(H2,13,14,15).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea?
1-[2-(4-bromophenyl)ethyl]-3-ethenylurea has a molecular weight of 269.14 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-ethenylurea is sourced from PubChem (CID 108909361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).