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

C17H16BrClN2O — CID 108908999

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
SMILESO=C(N/C=C/c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O/c18-15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(19)8-4-14/h1-9,11H,10,12H2,(H2,20,21,22)/b11-9+
InChIKeyBZIUSVUHQUTKGY-PKNBQFBNSA-N
MW379.69 g/mol
LogP4.62
Rot. Bonds5

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

1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea (PubChem CID 108908999) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
PubChem CID108908999
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
SMILESO=C(N/C=C/c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O/c18-15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(19)8-4-14/h1-9,11H,10,12H2,(H2,20,21,22)/b11-9+
InChIKeyBZIUSVUHQUTKGY-PKNBQFBNSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906770
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108908706
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908830
1-[(E)-but-1-enyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108910845
1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
CID 108909361
1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911218
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108908257
tert-butyl N-[2-[[(E)-2-(4-bromophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108909019
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea (CID 108908999) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea is O=C(N/C=C/c1ccc(Br)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea?
The InChIKey is BZIUSVUHQUTKGY-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c18-15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(19)8-4-14/h1-9,11H,10,12H2,(H2,20,21,22)/b11-9+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea?
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea has a molecular weight of 379.69 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 108908999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).