1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea

C15H15ClN2O2 — CID 2972238

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
SMILESO=C(NCCOc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-13-8-4-5-9-14(13)20-11-10-17-15(19)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyXEIHDAQCBQVIML-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea

1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea (PubChem CID 2972238) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
PubChem CID2972238
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
SMILESO=C(NCCOc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-13-8-4-5-9-14(13)20-11-10-17-15(19)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyXEIHDAQCBQVIML-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688
1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea
CID 4592854
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112970683
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-[2-(2-chlorophenoxy)ethyl]-3-(4-fluorophenyl)thiourea
CID 100749849
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea (CID 2972238) is 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea is O=C(NCCOc1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea?
The InChIKey is XEIHDAQCBQVIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-8-4-5-9-14(13)20-11-10-17-15(19)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,19).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea?
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea has a molecular weight of 290.75 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea is sourced from PubChem (CID 2972238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).