1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea

C18H21ClN2O4 — CID 112975702

IUPAC1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
SMILESCOc1cc(OC)cc(OCCNC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H21ClN2O4/c1-12-16(19)5-4-6-17(12)21-18(22)20-7-8-25-15-10-13(23-2)9-14(11-15)24-3/h4-6,9-11H,7-8H2,1-3H3,(H2,20,21,22)
InChIKeyFACMCGLHOGSMBB-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.87
Rot. Bonds7

About 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea

1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea (PubChem CID 112975702) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
PubChem CID112975702
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
SMILESCOc1cc(OC)cc(OCCNC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H21ClN2O4/c1-12-16(19)5-4-6-17(12)21-18(22)20-7-8-25-15-10-13(23-2)9-14(11-15)24-3/h4-6,9-11H,7-8H2,1-3H3,(H2,20,21,22)
InChIKeyFACMCGLHOGSMBB-UHFFFAOYSA-N
XLogP3.87
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974045
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975693
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
methyl 4-chloro-3-[2-(3-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971593
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea (CID 112975702) is 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea is COc1cc(OC)cc(OCCNC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The InChIKey is FACMCGLHOGSMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-12-16(19)5-4-6-17(12)21-18(22)20-7-8-25-15-10-13(23-2)9-14(11-15)24-3/h4-6,9-11H,7-8H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea has a molecular weight of 364.83 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112975702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).