1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea

C16H23ClN2O2 — CID 70796637

IUPAC1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
SMILESCc1ccc(Cl)cc1OCCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-12-7-8-13(17)11-15(12)21-10-9-18-16(20)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyFCOSUTXOCLFTBZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea

1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea (PubChem CID 70796637) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
PubChem CID70796637
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
SMILESCc1ccc(Cl)cc1OCCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-12-7-8-13(17)11-15(12)21-10-9-18-16(20)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyFCOSUTXOCLFTBZ-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
CID 112976796
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974243
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea (CID 70796637) is 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea is Cc1ccc(Cl)cc1OCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea?
The InChIKey is FCOSUTXOCLFTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12-7-8-13(17)11-15(12)21-10-9-18-16(20)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea?
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea has a molecular weight of 310.82 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea is sourced from PubChem (CID 70796637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).