1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea

C19H20FN3O2 — CID 108906258

IUPAC1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESO=C(N/C=C/c1cccc(F)c1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20FN3O2/c20-16-5-3-4-15(14-16)8-9-21-19(24)22-17-6-1-2-7-18(17)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H2,21,22,24)/b9-8+
InChIKeyCIHJZNKXNLJREG-CMDGGOBGSA-N
MW341.39 g/mol
LogP3.45
Rot. Bonds4

About 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea

1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 108906258) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID108906258
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESO=C(N/C=C/c1cccc(F)c1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20FN3O2/c20-16-5-3-4-15(14-16)8-9-21-19(24)22-17-6-1-2-7-18(17)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H2,21,22,24)/b9-8+
InChIKeyCIHJZNKXNLJREG-CMDGGOBGSA-N
XLogP3.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108904396
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
(E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 18227019
N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109270349
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea (CID 108906258) is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea is O=C(N/C=C/c1cccc(F)c1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is CIHJZNKXNLJREG-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-5-3-4-15(14-16)8-9-21-19(24)22-17-6-1-2-7-18(17)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H2,21,22,24)/b9-8+.
What are the key properties of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 341.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 108906258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).