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

C16H21ClN2O — CID 108906460

IUPAC3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)N/C=C/c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H21ClN2O/c1-19(15-8-3-2-4-9-15)16(20)18-11-10-13-6-5-7-14(17)12-13/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,18,20)/b11-10+
InChIKeyCNDNJICHHBZEAY-ZHACJKMWSA-N
MW292.81 g/mol
LogP4.28
Rot. Bonds3

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

3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea (PubChem CID 108906460) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
PubChem CID108906460
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)N/C=C/c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H21ClN2O/c1-19(15-8-3-2-4-9-15)16(20)18-11-10-13-6-5-7-14(17)12-13/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,18,20)/b11-10+
InChIKeyCNDNJICHHBZEAY-ZHACJKMWSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
The IUPAC name of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea (CID 108906460) is 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea.
What is the SMILES notation for 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
The canonical SMILES for 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea is CN(C(=O)N/C=C/c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
The InChIKey is CNDNJICHHBZEAY-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-19(15-8-3-2-4-9-15)16(20)18-11-10-13-6-5-7-14(17)12-13/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,18,20)/b11-10+.
What are the key properties of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea?
3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea has a molecular weight of 292.81 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea is sourced from PubChem (CID 108906460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).