1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea

C12H15BrN2O2 — CID 108908805

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)N/C=C/c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c1-9(16)8-15-12(17)14-7-6-10-2-4-11(13)5-3-10/h2-7,9,16H,8H2,1H3,(H2,14,15,17)/b7-6+
InChIKeySMVBFRABCORKFP-VOTSOKGWSA-N
MW299.17 g/mol
LogP2.10
Rot. Bonds4

About 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea (PubChem CID 108908805) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea
PubChem CID108908805
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)N/C=C/c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c1-9(16)8-15-12(17)14-7-6-10-2-4-11(13)5-3-10/h2-7,9,16H,8H2,1H3,(H2,14,15,17)/b7-6+
InChIKeySMVBFRABCORKFP-VOTSOKGWSA-N
XLogP2.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908830
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
CID 108908327
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108908849
tert-butyl N-[2-[[(E)-2-(4-bromophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108909019
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
CID 108908815
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,2-dimethoxyethyl)urea
CID 108908518
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea (CID 108908805) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)N/C=C/c1ccc(Br)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea?
The InChIKey is SMVBFRABCORKFP-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-9(16)8-15-12(17)14-7-6-10-2-4-11(13)5-3-10/h2-7,9,16H,8H2,1H3,(H2,14,15,17)/b7-6+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea?
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea has a molecular weight of 299.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 108908805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).