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

C15H21ClN2O2 — CID 112976796

IUPAC1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
SMILESCc1ccc(Cl)c(OCCNC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H21ClN2O2/c1-11-6-7-13(16)14(10-11)20-9-8-17-15(19)18-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,17,18,19)
InChIKeyISFGRRDOYMHBOI-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.27
Rot. Bonds5

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

1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea (PubChem CID 112976796) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
PubChem CID112976796
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
SMILESCc1ccc(Cl)c(OCCNC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H21ClN2O2/c1-11-6-7-13(16)14(10-11)20-9-8-17-15(19)18-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,17,18,19)
InChIKeyISFGRRDOYMHBOI-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112976866
1-(3-bromo-4-methylphenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976901
1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 112976924
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea?
The IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea (CID 112976796) is 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea?
The canonical SMILES for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea is Cc1ccc(Cl)c(OCCNC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea?
The InChIKey is ISFGRRDOYMHBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-6-7-13(16)14(10-11)20-9-8-17-15(19)18-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea?
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea has a molecular weight of 296.80 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea is sourced from PubChem (CID 112976796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).