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

C15H11Cl2FN2O — CID 108907926

IUPAC1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN2O/c16-13-6-5-12(9-14(13)17)20-15(21)19-8-7-10-1-3-11(18)4-2-10/h1-9H,(H2,19,20,21)/b8-7+
InChIKeyRXSQKWGDZQWWAZ-BQYQJAHWSA-N
MW325.17 g/mol
LogP4.92
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (PubChem CID 108907926) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
PubChem CID108907926
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN2O/c16-13-6-5-12(9-14(13)17)20-15(21)19-8-7-10-1-3-11(18)4-2-10/h1-9H,(H2,19,20,21)/b8-7+
InChIKeyRXSQKWGDZQWWAZ-BQYQJAHWSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908008
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
CID 108908299
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
CID 108908260
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906166
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908195
1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908002
1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904433

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (CID 108907926) is 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is O=C(N/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The InChIKey is RXSQKWGDZQWWAZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c16-13-6-5-12(9-14(13)17)20-15(21)19-8-7-10-1-3-11(18)4-2-10/h1-9H,(H2,19,20,21)/b8-7+.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea has a molecular weight of 325.17 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108907926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).