1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea

C16H22Cl2N2O — CID 60593250

IUPAC1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea
SMILESCN(C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H22Cl2N2O/c1-20(15-5-3-2-4-6-15)16(21)19-8-7-12-9-13(17)11-14(18)10-12/h9-11,15H,2-8H2,1H3,(H,19,21)
InChIKeyOUBFZJMSAQGUFT-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.51
Rot. Bonds4

About 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea

1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea (PubChem CID 60593250) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea
PubChem CID60593250
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea
SMILESCN(C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H22Cl2N2O/c1-20(15-5-3-2-4-6-15)16(21)19-8-7-12-9-13(17)11-14(18)10-12/h9-11,15H,2-8H2,1H3,(H,19,21)
InChIKeyOUBFZJMSAQGUFT-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea (CID 60593250) is 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea is CN(C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea?
The InChIKey is OUBFZJMSAQGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-20(15-5-3-2-4-6-15)16(21)19-8-7-12-9-13(17)11-14(18)10-12/h9-11,15H,2-8H2,1H3,(H,19,21).
What are the key properties of 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea?
1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea has a molecular weight of 329.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 60593250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).