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

C17H18ClN3O2 — CID 53250444

IUPAC1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-7-15(8-4-13)21-17(22)20-14-5-1-12(2-6-14)16-11-19-9-10-23-16/h1-8,16,19H,9-11H2,(H2,20,21,22)
InChIKeyZFNTZNCSFXKOJQ-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.64
Rot. Bonds3

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

1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea (PubChem CID 53250444) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea
PubChem CID53250444
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-7-15(8-4-13)21-17(22)20-14-5-1-12(2-6-14)16-11-19-9-10-23-16/h1-8,16,19H,9-11H2,(H2,20,21,22)
InChIKeyZFNTZNCSFXKOJQ-UHFFFAOYSA-N
XLogP3.64
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea (CID 53250444) is 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(C2CNCCO2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
The InChIKey is ZFNTZNCSFXKOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-3-7-15(8-4-13)21-17(22)20-14-5-1-12(2-6-14)16-11-19-9-10-23-16/h1-8,16,19H,9-11H2,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea has a molecular weight of 331.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 53250444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).