1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea

C19H23ClN2O2 — CID 108884020

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-15-6-2-3-9-18(15)24-13-5-11-21-19(23)22-12-10-16-7-4-8-17(20)14-16/h2-4,6-9,14H,5,10-13H2,1H3,(H2,21,22,23)
InChIKeyMLBWCBNVRCUBKC-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.96
Rot. Bonds8

About 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108884020) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108884020
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-15-6-2-3-9-18(15)24-13-5-11-21-19(23)22-12-10-16-7-4-8-17(20)14-16/h2-4,6-9,14H,5,10-13H2,1H3,(H2,21,22,23)
InChIKeyMLBWCBNVRCUBKC-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]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-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 112976538
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884018
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60544165
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea (CID 108884020) is 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccccc1OCCCNC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is MLBWCBNVRCUBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-15-6-2-3-9-18(15)24-13-5-11-21-19(23)22-12-10-16-7-4-8-17(20)14-16/h2-4,6-9,14H,5,10-13H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 346.86 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108884020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).