1-(4-chlorophenyl)-3-morpholin-4-ylurea

C11H14ClN3O2 — CID 5064754

IUPAC1-(4-chlorophenyl)-3-morpholin-4-ylurea
SMILESO=C(Nc1ccc(Cl)cc1)NN1CCOCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-1-3-10(4-2-9)13-11(16)14-15-5-7-17-8-6-15/h1-4H,5-8H2,(H2,13,14,16)
InChIKeyTXFDHTLRGBBXDC-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.71
Rot. Bonds2

About 1-(4-chlorophenyl)-3-morpholin-4-ylurea

1-(4-chlorophenyl)-3-morpholin-4-ylurea (PubChem CID 5064754) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-morpholin-4-ylurea
PubChem CID5064754
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name1-(4-chlorophenyl)-3-morpholin-4-ylurea
SMILESO=C(Nc1ccc(Cl)cc1)NN1CCOCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-1-3-10(4-2-9)13-11(16)14-15-5-7-17-8-6-15/h1-4H,5-8H2,(H2,13,14,16)
InChIKeyTXFDHTLRGBBXDC-UHFFFAOYSA-N
XLogP1.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.71
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-morpholin-4-ylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-morpholin-4-ylurea (CID 5064754) is 1-(4-chlorophenyl)-3-morpholin-4-ylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-morpholin-4-ylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-morpholin-4-ylurea is O=C(Nc1ccc(Cl)cc1)NN1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-morpholin-4-ylurea?
The InChIKey is TXFDHTLRGBBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-1-3-10(4-2-9)13-11(16)14-15-5-7-17-8-6-15/h1-4H,5-8H2,(H2,13,14,16).
What are the key properties of 1-(4-chlorophenyl)-3-morpholin-4-ylurea?
1-(4-chlorophenyl)-3-morpholin-4-ylurea has a molecular weight of 255.70 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-morpholin-4-ylurea is sourced from PubChem (CID 5064754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).