1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea

C13H19ClN2O3 — CID 108901434

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(NCCOCCO)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c14-12-3-1-2-11(10-12)4-5-15-13(18)16-6-8-19-9-7-17/h1-3,10,17H,4-9H2,(H2,15,16,18)
InChIKeyUYEVLQAPQYEPHW-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.19
Rot. Bonds8

About 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 108901434) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID108901434
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(NCCOCCO)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c14-12-3-1-2-11(10-12)4-5-15-13(18)16-6-8-19-9-7-17/h1-3,10,17H,4-9H2,(H2,15,16,18)
InChIKeyUYEVLQAPQYEPHW-UHFFFAOYSA-N
XLogP1.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 112976538
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
CID 114297493
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea (CID 108901434) is 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea is O=C(NCCOCCO)NCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is UYEVLQAPQYEPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c14-12-3-1-2-11(10-12)4-5-15-13(18)16-6-8-19-9-7-17/h1-3,10,17H,4-9H2,(H2,15,16,18).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 286.76 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 108901434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).