1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

C18H18F3N3O2 — CID 53250443

IUPAC1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-3-7-15(8-4-13)24-17(25)23-14-5-1-12(2-6-14)16-11-22-9-10-26-16/h1-8,16,22H,9-11H2,(H2,23,24,25)
InChIKeyWCDYPBIYACQZAX-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 53250443) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID53250443
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-3-7-15(8-4-13)24-17(25)23-14-5-1-12(2-6-14)16-11-22-9-10-26-16/h1-8,16,22H,9-11H2,(H2,23,24,25)
InChIKeyWCDYPBIYACQZAX-UHFFFAOYSA-N
XLogP4.01
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 53250443) is 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is WCDYPBIYACQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)13-3-7-15(8-4-13)24-17(25)23-14-5-1-12(2-6-14)16-11-22-9-10-26-16/h1-8,16,22H,9-11H2,(H2,23,24,25).
What are the key properties of 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 365.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 53250443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).