3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea

C16H15ClN2O2 — CID 108908499

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)N/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H15ClN2O2/c1-19(14-6-8-15(20)9-7-14)16(21)18-11-10-12-2-4-13(17)5-3-12/h2-11,20H,1H3,(H,18,21)/b11-10+
InChIKeyNSOQABUCQWMCET-ZHACJKMWSA-N
MW302.76 g/mol
LogP3.86
Rot. Bonds3

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea

3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea (PubChem CID 108908499) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea
PubChem CID108908499
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)N/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H15ClN2O2/c1-19(14-6-8-15(20)9-7-14)16(21)18-11-10-12-2-4-13(17)5-3-12/h2-11,20H,1H3,(H,18,21)/b11-10+
InChIKeyNSOQABUCQWMCET-ZHACJKMWSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 28740219
N-[(E)-2-(4-hydroxyphenyl)ethenyl]acetamide
CID 21422510
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
methyl N-[(E)-2-(4-hydroxyphenyl)ethenyl]carbamate
CID 21422485
3-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-1-phenylurea
CID 108906945
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
CID 108908327
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea (CID 108908499) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea is CN(C(=O)N/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea?
The InChIKey is NSOQABUCQWMCET-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(14-6-8-15(20)9-7-14)16(21)18-11-10-12-2-4-13(17)5-3-12/h2-11,20H,1H3,(H,18,21)/b11-10+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea?
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea has a molecular weight of 302.76 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea is sourced from PubChem (CID 108908499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).