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

C20H20F3N3O2 — CID 158434163

IUPAC1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC=C(c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1
InChIInChI=1S/C20H20F3N3O2/c1-14(26-9-11-28-12-10-26)15-5-7-17(8-6-15)24-19(27)25-18-4-2-3-16(13-18)20(21,22)23/h2-8,13H,1,9-12H2,(H2,24,25,27)
InChIKeyAMOBAIPPVQMNET-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.65
Rot. Bonds4

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

1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 158434163) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID158434163
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC=C(c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1
InChIInChI=1S/C20H20F3N3O2/c1-14(26-9-11-28-12-10-26)15-5-7-17(8-6-15)24-19(27)25-18-4-2-3-16(13-18)20(21,22)23/h2-8,13H,1,9-12H2,(H2,24,25,27)
InChIKeyAMOBAIPPVQMNET-UHFFFAOYSA-N
XLogP4.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90134872
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558
1-(4-pyrrolidin-1-ylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 135144041
1-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71532895
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108913081
1-[4-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 148671648
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42889908

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 158434163) is 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is C=C(c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is AMOBAIPPVQMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-14(26-9-11-28-12-10-26)15-5-7-17(8-6-15)24-19(27)25-18-4-2-3-16(13-18)20(21,22)23/h2-8,13H,1,9-12H2,(H2,24,25,27).
What are the key properties of 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 391.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158434163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).