1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea

C21H31ClN2O — CID 108904684

IUPAC1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
SMILESO=C(N/C=C/c1ccccc1Cl)NC1CCCCCCCCCCC1
InChIInChI=1S/C21H31ClN2O/c22-20-15-11-10-12-18(20)16-17-23-21(25)24-19-13-8-6-4-2-1-3-5-7-9-14-19/h10-12,15-17,19H,1-9,13-14H2,(H2,23,24,25)/b17-16+
InChIKeyGIFHXOGVOKJQRK-WUKNDPDISA-N
MW362.94 g/mol
LogP6.28
Rot. Bonds3

About 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea (PubChem CID 108904684) has the molecular formula C21H31ClN2O and a molecular weight of 362.94 g/mol. Its IUPAC name is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea.

Molecular Properties

Compound Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
PubChem CID108904684
Molecular FormulaC21H31ClN2O
Molecular Weight362.94 g/mol
Exact Mass362.21
IUPAC Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
SMILESO=C(N/C=C/c1ccccc1Cl)NC1CCCCCCCCCCC1
InChIInChI=1S/C21H31ClN2O/c22-20-15-11-10-12-18(20)16-17-23-21(25)24-19-13-8-6-4-2-1-3-5-7-9-14-19/h10-12,15-17,19H,1-9,13-14H2,(H2,23,24,25)/b17-16+
InChIKeyGIFHXOGVOKJQRK-WUKNDPDISA-N
XLogP6.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.94
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
1-cyclododecyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904312
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108904598
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
1-(1-adamantyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904821
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108904876
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
CID 108908546
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907580
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903627

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea?
The IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea (CID 108904684) is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea.
What is the SMILES notation for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea?
The canonical SMILES for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea is O=C(N/C=C/c1ccccc1Cl)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea?
The InChIKey is GIFHXOGVOKJQRK-WUKNDPDISA-N. The full InChI is InChI=1S/C21H31ClN2O/c22-20-15-11-10-12-18(20)16-17-23-21(25)24-19-13-8-6-4-2-1-3-5-7-9-14-19/h10-12,15-17,19H,1-9,13-14H2,(H2,23,24,25)/b17-16+.
What are the key properties of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea?
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea has a molecular weight of 362.94 g/mol, XLogP of 6.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea is sourced from PubChem (CID 108904684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).