1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

C16H14Cl2N2O2 — CID 108903849

IUPAC1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-22-15-5-3-2-4-11(15)8-9-19-16(21)20-14-7-6-12(17)10-13(14)18/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyVRBYCCKXNAKLJZ-CMDGGOBGSA-N
MW337.21 g/mol
LogP4.79
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108903849) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108903849
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-22-15-5-3-2-4-11(15)8-9-19-16(21)20-14-7-6-12(17)10-13(14)18/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyVRBYCCKXNAKLJZ-CMDGGOBGSA-N
XLogP4.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904116
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
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-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904481
1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904303
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108903849) is 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is COc1ccccc1/C=C/NC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is VRBYCCKXNAKLJZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-22-15-5-3-2-4-11(15)8-9-19-16(21)20-14-7-6-12(17)10-13(14)18/h2-10H,1H3,(H2,19,20,21)/b9-8+.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea has a molecular weight of 337.21 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108903849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).