1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C21H24F3N3O4 — CID 25015279

IUPAC1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4/c22-21(23,24)31-19-8-4-17(5-9-19)26-20(28)25-16-2-6-18(7-3-16)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-15H2,(H2,25,26,28)
InChIKeyMHYBNAYVNVIZDS-UHFFFAOYSA-N
MW439.43 g/mol
LogP4.33
Rot. Bonds8

About 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 25015279) has the molecular formula C21H24F3N3O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID25015279
Molecular FormulaC21H24F3N3O4
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC Name1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4/c22-21(23,24)31-19-8-4-17(5-9-19)26-20(28)25-16-2-6-18(7-3-16)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-15H2,(H2,25,26,28)
InChIKeyMHYBNAYVNVIZDS-UHFFFAOYSA-N
XLogP4.33
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
CID 100700350
2-cyclopropyl-2-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]propanamide
CID 133246232
1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25015205
1-(1-adamantyl)-3-[4-(4-morpholin-4-ylbutoxy)phenyl]urea
CID 70692218
(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
CID 100723548
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
1-(4-pentylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 70829829
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60567807
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 25015279) is 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OCCCN2CCOCC2)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is MHYBNAYVNVIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4/c22-21(23,24)31-19-8-4-17(5-9-19)26-20(28)25-16-2-6-18(7-3-16)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-15H2,(H2,25,26,28).
What are the key properties of 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 439.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 25015279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).