1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea

C18H21ClN2O3 — CID 108883575

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-2-23-17-11-6-4-9-15(17)21-18(22)20-12-7-13-24-16-10-5-3-8-14(16)19/h3-6,8-11H,2,7,12-13H2,1H3,(H2,20,21,22)
InChIKeyAQASHVSMESRCII-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.33
Rot. Bonds8

About 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea

1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea (PubChem CID 108883575) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
PubChem CID108883575
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-2-23-17-11-6-4-9-15(17)21-18(22)20-12-7-13-24-16-10-5-3-8-14(16)19/h3-6,8-11H,2,7,12-13H2,1H3,(H2,20,21,22)
InChIKeyAQASHVSMESRCII-UHFFFAOYSA-N
XLogP4.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea 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-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108883342
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
butyl 2-[3-(2-chlorophenoxy)propylcarbamoylamino]benzoate
CID 108883426
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
CID 112973367

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea (CID 108883575) is 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCCCOc1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is AQASHVSMESRCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-2-23-17-11-6-4-9-15(17)21-18(22)20-12-7-13-24-16-10-5-3-8-14(16)19/h3-6,8-11H,2,7,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea?
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 348.83 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 108883575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).