1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea

C18H18ClN3O3 — CID 650428

IUPAC1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O3/c19-14-2-1-3-16(12-14)21-18(24)20-15-6-4-13(5-7-15)17(23)22-8-10-25-11-9-22/h1-7,12H,8-11H2,(H2,20,21,24)
InChIKeyPSZFDQQWUGYIAD-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea

1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 650428) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
PubChem CID650428
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O3/c19-14-2-1-3-16(12-14)21-18(24)20-15-6-4-13(5-7-15)17(23)22-8-10-25-11-9-22/h1-7,12H,8-11H2,(H2,20,21,24)
InChIKeyPSZFDQQWUGYIAD-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (CID 650428) is 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is PSZFDQQWUGYIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-14-2-1-3-16(12-14)21-18(24)20-15-6-4-13(5-7-15)17(23)22-8-10-25-11-9-22/h1-7,12H,8-11H2,(H2,20,21,24).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 359.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 650428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).