3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

C12H17ClN2O3 — CID 54941815

IUPAC3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCOCC(O)CN(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3/c1-15(7-11(16)8-18-2)12(17)14-10-5-3-9(13)4-6-10/h3-6,11,16H,7-8H2,1-2H3,(H,14,17)
InChIKeyAJGXBFJDWJWKKE-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.81
Rot. Bonds5

About 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (PubChem CID 54941815) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
PubChem CID54941815
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCOCC(O)CN(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3/c1-15(7-11(16)8-18-2)12(17)14-10-5-3-9(13)4-6-10/h3-6,11,16H,7-8H2,1-2H3,(H,14,17)
InChIKeyAJGXBFJDWJWKKE-UHFFFAOYSA-N
XLogP1.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-hydroxy-3-methoxypropyl)-1-methylurea 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-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903939
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86837352
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]benzoic acid
CID 107796183
3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 86837784
3-(4-bromo-2-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903881
1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea
CID 63765403
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895
2-(4-chloro-N-(2-hydroxy-3-methoxypropyl)anilino)acetic acid
CID 63928196
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
2-(2,4-dichlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993871

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (CID 54941815) is 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is COCC(O)CN(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The InChIKey is AJGXBFJDWJWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-15(7-11(16)8-18-2)12(17)14-10-5-3-9(13)4-6-10/h3-6,11,16H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea has a molecular weight of 272.73 g/mol, XLogP of 1.81, 5 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-hydroxy-3-methoxypropyl)-1-methylurea is sourced from PubChem (CID 54941815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).