3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea

C12H17ClN2O3 — CID 115608745

IUPAC3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3/c1-18-9-7-15(6-8-16)12(17)14-11-4-2-10(13)3-5-11/h2-5,16H,6-9H2,1H3,(H,14,17)
InChIKeyFCMGKCQCPDWJLT-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.81
Rot. Bonds6

About 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea

3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (PubChem CID 115608745) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
PubChem CID115608745
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3/c1-18-9-7-15(6-8-16)12(17)14-11-4-2-10(13)3-5-11/h2-5,16H,6-9H2,1H3,(H,14,17)
InChIKeyFCMGKCQCPDWJLT-UHFFFAOYSA-N
XLogP1.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)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

3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111115015
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431069
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
1-(2-hydroxyethyl)-1-(2-methoxyethyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111473504
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
methyl 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3920263
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
CID 154872347
5-chloro-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 113468065
4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
CID 45156351

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (CID 115608745) is 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is COCCN(CCO)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The InChIKey is FCMGKCQCPDWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-9-7-15(6-8-16)12(17)14-11-4-2-10(13)3-5-11/h2-5,16H,6-9H2,1H3,(H,14,17).
What are the key properties of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea has a molecular weight of 272.73 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 115608745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).