1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea

C11H15ClN2O3 — CID 108894361

IUPAC1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3/c1-16-6-7-17-8-13-11(15)14-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeyIAACADJNCXWZHU-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.08
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea

1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea (PubChem CID 108894361) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
PubChem CID108894361
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3/c1-16-6-7-17-8-13-11(15)14-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeyIAACADJNCXWZHU-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea (CID 108894361) is 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea is COCCOCNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea?
The InChIKey is IAACADJNCXWZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-16-6-7-17-8-13-11(15)14-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea?
1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea has a molecular weight of 258.70 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea is sourced from PubChem (CID 108894361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).