1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea

C13H18ClN3O2 — CID 873825

IUPAC1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c14-11-1-3-12(4-2-11)16-13(18)15-5-6-17-7-9-19-10-8-17/h1-4H,5-10H2,(H2,15,16,18)
InChIKeyRBMYPENMMHBLPJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.79
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea

1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 873825) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID873825
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c14-11-1-3-12(4-2-11)16-13(18)15-5-6-17-7-9-19-10-8-17/h1-4H,5-10H2,(H2,15,16,18)
InChIKeyRBMYPENMMHBLPJ-UHFFFAOYSA-N
XLogP1.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea (CID 873825) is 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is RBMYPENMMHBLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-11-1-3-12(4-2-11)16-13(18)15-5-6-17-7-9-19-10-8-17/h1-4H,5-10H2,(H2,15,16,18).
What are the key properties of 1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(4-chlorophenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 283.76 g/mol, XLogP of 1.79, 4 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-morpholin-4-ylethyl)urea is sourced from PubChem (CID 873825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).