1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea

C12H17ClN2O4 — CID 108875526

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCOCCO
InChIInChI=1S/C12H17ClN2O4/c1-18-11-3-2-9(13)8-10(11)15-12(17)14-4-6-19-7-5-16/h2-3,8,16H,4-7H2,1H3,(H2,14,15,17)
InChIKeyCNVLLVYIOSDYCQ-UHFFFAOYSA-N
MW288.73 g/mol
LogP1.48
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 108875526) has the molecular formula C12H17ClN2O4 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID108875526
Molecular FormulaC12H17ClN2O4
Molecular Weight288.73 g/mol
Exact Mass288.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCOCCO
InChIInChI=1S/C12H17ClN2O4/c1-18-11-3-2-9(13)8-10(11)15-12(17)14-4-6-19-7-5-16/h2-3,8,16H,4-7H2,1H3,(H2,14,15,17)
InChIKeyCNVLLVYIOSDYCQ-UHFFFAOYSA-N
XLogP1.48
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 3669367
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea (CID 108875526) is 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea is COc1ccc(Cl)cc1NC(=O)NCCOCCO.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is CNVLLVYIOSDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4/c1-18-11-3-2-9(13)8-10(11)15-12(17)14-4-6-19-7-5-16/h2-3,8,16H,4-7H2,1H3,(H2,14,15,17).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 288.73 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 108875526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).