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

C19H18F3N3O4 — CID 24945676

IUPAC1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)29-16-7-5-15(6-8-16)24-18(27)23-14-3-1-13(2-4-14)17(26)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,27)
InChIKeyPSGYWNNOKIAPNF-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.70
Rot. Bonds4

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

1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 24945676) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID24945676
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)29-16-7-5-15(6-8-16)24-18(27)23-14-3-1-13(2-4-14)17(26)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,27)
InChIKeyPSGYWNNOKIAPNF-UHFFFAOYSA-N
XLogP3.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 24945676) is 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is PSGYWNNOKIAPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c20-19(21,22)29-16-7-5-15(6-8-16)24-18(27)23-14-3-1-13(2-4-14)17(26)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,27).
What are the key properties of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 409.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 24945676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).