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

C12H17ClN2O3 — CID 110929481

IUPAC3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-6-15(5-7-16)12(17)14-11-4-2-3-10(13)9-11/h2-4,9,16H,5-8H2,1H3,(H,14,17)
InChIKeyIFMDOWHDRMXEQF-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.81
Rot. Bonds6

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

3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (PubChem CID 110929481) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
PubChem CID110929481
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-6-15(5-7-16)12(17)14-11-4-2-3-10(13)9-11/h2-4,9,16H,5-8H2,1H3,(H,14,17)
InChIKeyIFMDOWHDRMXEQF-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

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Related Compounds

3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582843
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431069
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7144729
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
1-(2-hydroxyethyl)-1-(2-methoxyethyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111473504
2-[(3-chlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768077
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (CID 110929481) is 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is COCCN(CCO)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The InChIKey is IFMDOWHDRMXEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-8-6-15(5-7-16)12(17)14-11-4-2-3-10(13)9-11/h2-4,9,16H,5-8H2,1H3,(H,14,17).
What are the key properties of 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
3-(3-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-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 110929481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).