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

C17H17BrN2O — CID 108908815

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O/c1-2-13-5-9-16(10-6-13)20-17(21)19-12-11-14-3-7-15(18)8-4-14/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+
InChIKeyUWWKKFOZQRERCJ-VAWYXSNFSA-N
MW345.24 g/mol
LogP4.80
Rot. Bonds4

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

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea (PubChem CID 108908815) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
PubChem CID108908815
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O/c1-2-13-5-9-16(10-6-13)20-17(21)19-12-11-14-3-7-15(18)8-4-14/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+
InChIKeyUWWKKFOZQRERCJ-VAWYXSNFSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea
CID 108908790
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea
CID 108908805
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
1-(4-ethylphenyl)-3-methylurea
CID 54250791

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea (CID 108908815) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea?
The InChIKey is UWWKKFOZQRERCJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-2-13-5-9-16(10-6-13)20-17(21)19-12-11-14-3-7-15(18)8-4-14/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea?
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea has a molecular weight of 345.24 g/mol, XLogP of 4.80, 4 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-(4-ethylphenyl)urea is sourced from PubChem (CID 108908815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).