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

C17H15BrN2O2 — CID 108908760

IUPAC1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
SMILESCC(=O)c1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-12(21)14-4-8-16(9-5-14)20-17(22)19-11-10-13-2-6-15(18)7-3-13/h2-11H,1H3,(H2,19,20,22)/b11-10+
InChIKeyOURPXWWFUANGKX-ZHACJKMWSA-N
MW359.22 g/mol
LogP4.44
Rot. Bonds4

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

1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea (PubChem CID 108908760) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
PubChem CID108908760
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
SMILESCC(=O)c1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-12(21)14-4-8-16(9-5-14)20-17(22)19-11-10-13-2-6-15(18)7-3-13/h2-11H,1H3,(H2,19,20,22)/b11-10+
InChIKeyOURPXWWFUANGKX-ZHACJKMWSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(4-cyanophenyl)urea
CID 108908790
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411
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-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911352
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108908828
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea (CID 108908760) is 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea is CC(=O)c1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea?
The InChIKey is OURPXWWFUANGKX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-12(21)14-4-8-16(9-5-14)20-17(22)19-11-10-13-2-6-15(18)7-3-13/h2-11H,1H3,(H2,19,20,22)/b11-10+.
What are the key properties of 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea?
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea has a molecular weight of 359.22 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea is sourced from PubChem (CID 108908760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).