1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea

C15H18Cl2N2O — CID 108912245

IUPAC1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(N/C=C/C1CCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O/c16-12-8-13(17)10-14(9-12)19-15(20)18-7-6-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)/b7-6+
InChIKeyWQHXQIIVTWGXPS-VOTSOKGWSA-N
MW313.23 g/mol
LogP5.21
Rot. Bonds3

About 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea

1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 108912245) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
PubChem CID108912245
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(N/C=C/C1CCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O/c16-12-8-13(17)10-14(9-12)19-15(20)18-7-6-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)/b7-6+
InChIKeyWQHXQIIVTWGXPS-VOTSOKGWSA-N
XLogP5.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.23
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912236
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911622
1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide
CID 108911862
1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911970
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
CID 108912618
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
[4-[[(E)-2-cyclohexylethenyl]carbamoylamino]phenyl] thiocyanate
CID 108912202
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea (CID 108912245) is 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea is O=C(N/C=C/C1CCCCC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is WQHXQIIVTWGXPS-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-12-8-13(17)10-14(9-12)19-15(20)18-7-6-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)/b7-6+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea?
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 313.23 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 108912245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).