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

C19H18F3N3O3 — CID 24945519

IUPAC1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-6-15(7-5-14)23-18(27)24-16-3-1-2-13(12-16)17(26)25-8-10-28-11-9-25/h1-7,12H,8-11H2,(H2,23,24,27)
InChIKeyFXLJECICTXGAQU-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.82
Rot. Bonds3

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

1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 24945519) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID24945519
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-6-15(7-5-14)23-18(27)24-16-3-1-2-13(12-16)17(26)25-8-10-28-11-9-25/h1-7,12H,8-11H2,(H2,23,24,27)
InChIKeyFXLJECICTXGAQU-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 24945519) is 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is FXLJECICTXGAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-6-15(7-5-14)23-18(27)24-16-3-1-2-13(12-16)17(26)25-8-10-28-11-9-25/h1-7,12H,8-11H2,(H2,23,24,27).
What are the key properties of 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 393.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 24945519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).