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

C17H16BrClN2O — CID 108906770

IUPAC1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)NCCc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O/c18-15-6-4-13(5-7-15)8-10-20-17(22)21-11-9-14-2-1-3-16(19)12-14/h1-7,9,11-12H,8,10H2,(H2,20,21,22)/b11-9+
InChIKeyXAQLIJPCDZXKIL-PKNBQFBNSA-N
MW379.69 g/mol
LogP4.62
Rot. Bonds5

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

1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea (PubChem CID 108906770) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
PubChem CID108906770
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)NCCc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O/c18-15-6-4-13(5-7-15)8-10-20-17(22)21-11-9-14-2-1-3-16(19)12-14/h1-7,9,11-12H,8,10H2,(H2,20,21,22)/b11-9+
InChIKeyXAQLIJPCDZXKIL-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-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108907152
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea
CID 108907128
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-bromophenyl)methyl]urea
CID 108907130
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906751
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905638
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108908706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea (CID 108906770) is 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea is O=C(N/C=C/c1cccc(Cl)c1)NCCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
The InChIKey is XAQLIJPCDZXKIL-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c18-15-6-4-13(5-7-15)8-10-20-17(22)21-11-9-14-2-1-3-16(19)12-14/h1-7,9,11-12H,8,10H2,(H2,20,21,22)/b11-9+.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]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-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea is sourced from PubChem (CID 108906770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).