1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

C17H17BrN2O2 — CID 108904116

IUPAC1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O2/c1-12-11-14(18)7-8-15(12)20-17(21)19-10-9-13-5-3-4-6-16(13)22-2/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyAVEPQDMLPQQDSS-MDZDMXLPSA-N
MW361.24 g/mol
LogP4.56
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108904116) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108904116
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O2/c1-12-11-14(18)7-8-15(12)20-17(21)19-10-9-13-5-3-4-6-16(13)22-2/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyAVEPQDMLPQQDSS-MDZDMXLPSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903849
1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903913
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108905003
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904481
2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108903974
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108904116) is 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is COc1ccccc1/C=C/NC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is AVEPQDMLPQQDSS-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-11-14(18)7-8-15(12)20-17(21)19-10-9-13-5-3-4-6-16(13)22-2/h3-11H,1-2H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea has a molecular weight of 361.24 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108904116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).