1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea

C20H19F3N4O4 — CID 54115151

IUPAC1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(NN=C(C(=O)N1CCOCC1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)31-16-8-6-15(7-9-16)24-19(29)26-25-17(14-4-2-1-3-5-14)18(28)27-10-12-30-13-11-27/h1-9H,10-13H2,(H2,24,26,29)
InChIKeyNJUXOZGRFKCKMK-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.97
Rot. Bonds5

About 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea

1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 54115151) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID54115151
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(NN=C(C(=O)N1CCOCC1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)31-16-8-6-15(7-9-16)24-19(29)26-25-17(14-4-2-1-3-5-14)18(28)27-10-12-30-13-11-27/h1-9H,10-13H2,(H2,24,26,29)
InChIKeyNJUXOZGRFKCKMK-UHFFFAOYSA-N
XLogP2.97
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
CID 9242424
1-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118395974
1-[(E)-[1-[4-(difluoromethoxy)phenyl]-2-phenylethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134106595
(2S)-4-morpholin-4-yl-4-oxo-2-phenyl-N-[1-phenyl-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide
CID 69098527
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 86986663
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide
CID 10786440
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea (CID 54115151) is 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(NN=C(C(=O)N1CCOCC1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is NJUXOZGRFKCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c21-20(22,23)31-16-8-6-15(7-9-16)24-19(29)26-25-17(14-4-2-1-3-5-14)18(28)27-10-12-30-13-11-27/h1-9H,10-13H2,(H2,24,26,29).
What are the key properties of 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 436.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 54115151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).