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

C9H11ClN2O2 — CID 2235745

IUPAC1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c10-7-1-3-8(4-2-7)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,11,12,14)
InChIKeyQEZHKMSSOWUPSR-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.45
Rot. Bonds3

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

1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea (PubChem CID 2235745) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea
PubChem CID2235745
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c10-7-1-3-8(4-2-7)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,11,12,14)
InChIKeyQEZHKMSSOWUPSR-UHFFFAOYSA-N
XLogP1.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea (CID 2235745) is 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is QEZHKMSSOWUPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-1-3-8(4-2-7)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,11,12,14).
What are the key properties of 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea?
1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 214.65 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 2235745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).