1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea

C18H16F5N3O2 — CID 2810757

IUPAC1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cc(F)ccc1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C18H16F5N3O2/c19-12-2-3-13(20)14(10-12)24-17(27)25-15-9-11(18(21,22)23)1-4-16(15)26-5-7-28-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,27)
InChIKeyOXXACKLMUXKUEJ-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.46
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea

1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea (PubChem CID 2810757) has the molecular formula C18H16F5N3O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
PubChem CID2810757
Molecular FormulaC18H16F5N3O2
Molecular Weight401.34 g/mol
Exact Mass401.12
IUPAC Name1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cc(F)ccc1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C18H16F5N3O2/c19-12-2-3-13(20)14(10-12)24-17(27)25-15-9-11(18(21,22)23)1-4-16(15)26-5-7-28-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,27)
InChIKeyOXXACKLMUXKUEJ-UHFFFAOYSA-N
XLogP4.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
2-(3-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7551397
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 27997827
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea (CID 2810757) is 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea is O=C(Nc1cc(F)ccc1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is OXXACKLMUXKUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N3O2/c19-12-2-3-13(20)14(10-12)24-17(27)25-15-9-11(18(21,22)23)1-4-16(15)26-5-7-28-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,27).
What are the key properties of 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 401.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2810757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).