1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea

C15H19F3N2O2 — CID 36969496

IUPAC1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NOCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)12-7-4-8-13(9-12)19-14(21)20-22-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H2,19,20,21)/t12-,13-/m0/s1
InChIKeyGTMUFYKRDDDVAY-STQMWFEESA-N
MW316.32 g/mol
LogP3.54
Rot. Bonds4

About 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea

1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 36969496) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID36969496
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NOCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)12-7-4-8-13(9-12)19-14(21)20-22-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H2,19,20,21)/t12-,13-/m0/s1
InChIKeyGTMUFYKRDDDVAY-STQMWFEESA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
benzyl N-[(2S)-1-oxo-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 51887853
4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 86927593
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093
1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 36965311
2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 86920505
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea (CID 36969496) is 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea is O=C(NOCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is GTMUFYKRDDDVAY-STQMWFEESA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)12-7-4-8-13(9-12)19-14(21)20-22-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H2,19,20,21)/t12-,13-/m0/s1.
What are the key properties of 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 316.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 36969496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).