2-(2-chloro-5-methylphenoxy)ethylurea

C10H13ClN2O2 — CID 82081437

IUPAC2-(2-chloro-5-methylphenoxy)ethylurea
SMILESCc1ccc(Cl)c(OCCNC(N)=O)c1
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(11)9(6-7)15-5-4-13-10(12)14/h2-3,6H,4-5H2,1H3,(H3,12,13,14)
InChIKeyYSIUDQBIJDBLMU-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.70
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)ethylurea

2-(2-chloro-5-methylphenoxy)ethylurea (PubChem CID 82081437) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)ethylurea.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)ethylurea
PubChem CID82081437
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(2-chloro-5-methylphenoxy)ethylurea
SMILESCc1ccc(Cl)c(OCCNC(N)=O)c1
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(11)9(6-7)15-5-4-13-10(12)14/h2-3,6H,4-5H2,1H3,(H3,12,13,14)
InChIKeyYSIUDQBIJDBLMU-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.70
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

2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
CID 112976796
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976938
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 112976924
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102822
1-(3-bromo-4-methylphenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976901

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)ethylurea?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)ethylurea (CID 82081437) is 2-(2-chloro-5-methylphenoxy)ethylurea.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)ethylurea?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)ethylurea is Cc1ccc(Cl)c(OCCNC(N)=O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)ethylurea?
The InChIKey is YSIUDQBIJDBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-2-3-8(11)9(6-7)15-5-4-13-10(12)14/h2-3,6H,4-5H2,1H3,(H3,12,13,14).
What are the key properties of 2-(2-chloro-5-methylphenoxy)ethylurea?
2-(2-chloro-5-methylphenoxy)ethylurea has a molecular weight of 228.68 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)ethylurea is sourced from PubChem (CID 82081437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).