1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea

C20H20F3N3O3 — CID 144808234

IUPAC1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
SMILESO=Nc1ccc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)13-1-9-17(10-2-13)29-18-11-7-15(8-12-18)25-19(27)24-14-3-5-16(26-28)6-4-14/h1-6,9-10,15,18H,7-8,11-12H2,(H2,24,25,27)
InChIKeyIDMZCKVNMDCAGN-UHFFFAOYSA-N
MW407.39 g/mol
LogP5.61
Rot. Bonds5

About 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea

1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea (PubChem CID 144808234) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
PubChem CID144808234
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
SMILESO=Nc1ccc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)13-1-9-17(10-2-13)29-18-11-7-15(8-12-18)25-19(27)24-14-3-5-16(26-28)6-4-14/h1-6,9-10,15,18H,7-8,11-12H2,(H2,24,25,27)
InChIKeyIDMZCKVNMDCAGN-UHFFFAOYSA-N
XLogP5.61
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.39
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 122662399
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 154114146
1-[(1S,3S)-3-[4-(1,1-difluoroethyl)phenoxy]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156724550
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 68609241
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71730152
1-(4-tert-butylphenyl)-3-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]urea
CID 90633974
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide
CID 164533270

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea?
The IUPAC name of 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea (CID 144808234) is 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea.
What is the SMILES notation for 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea?
The canonical SMILES for 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea is O=Nc1ccc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea?
The InChIKey is IDMZCKVNMDCAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)13-1-9-17(10-2-13)29-18-11-7-15(8-12-18)25-19(27)24-14-3-5-16(26-28)6-4-14/h1-6,9-10,15,18H,7-8,11-12H2,(H2,24,25,27).
What are the key properties of 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea?
1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea has a molecular weight of 407.39 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea is sourced from PubChem (CID 144808234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).