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

C12H17ClN2O3 — CID 111115015

IUPAC3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCO)CCCO
InChIInChI=1S/C12H17ClN2O3/c13-10-2-4-11(5-3-10)14-12(18)15(7-9-17)6-1-8-16/h2-5,16-17H,1,6-9H2,(H,14,18)
InChIKeyAIUXWWRARHNKIU-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.55
Rot. Bonds6

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

3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea (PubChem CID 111115015) 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-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
PubChem CID111115015
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCO)CCCO
InChIInChI=1S/C12H17ClN2O3/c13-10-2-4-11(5-3-10)14-12(18)15(7-9-17)6-1-8-16/h2-5,16-17H,1,6-9H2,(H,14,18)
InChIKeyAIUXWWRARHNKIU-UHFFFAOYSA-N
XLogP1.55
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)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-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
3-(3-bromo-4-methylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111925952
1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea
CID 72924189
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
3-[4-(1-aminoethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 61341512
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111578885
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]benzoic acid
CID 107481973
1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea (CID 111115015) is 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea is O=C(Nc1ccc(Cl)cc1)N(CCO)CCCO.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The InChIKey is AIUXWWRARHNKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c13-10-2-4-11(5-3-10)14-12(18)15(7-9-17)6-1-8-16/h2-5,16-17H,1,6-9H2,(H,14,18).
What are the key properties of 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea has a molecular weight of 272.73 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 111115015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).