1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea

C17H23F3N2O2 — CID 99104019

IUPAC1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESC[C@](O)(CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C17H23F3N2O2/c1-16(24,12-6-3-2-4-7-12)11-21-15(23)22-14-9-5-8-13(10-14)17(18,19)20/h2-4,6-7,13-14,24H,5,8-11H2,1H3,(H2,21,22,23)/t13-,14+,16+/m1/s1
InChIKeyCYRUCJHILDRSQP-YCPHGPKFSA-N
MW344.38 g/mol
LogP3.31
Rot. Bonds4

About 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea

1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 99104019) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID99104019
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESC[C@](O)(CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C17H23F3N2O2/c1-16(24,12-6-3-2-4-7-12)11-21-15(23)22-14-9-5-8-13(10-14)17(18,19)20/h2-4,6-7,13-14,24H,5,8-11H2,1H3,(H2,21,22,23)/t13-,14+,16+/m1/s1
InChIKeyCYRUCJHILDRSQP-YCPHGPKFSA-N
XLogP3.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea with MolForge

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Related Compounds

US11078186, Example 66
CID 153313897
US11078186, Example 68
CID 134506884
US11078186, Example 67
CID 134506894
US11078186, Example 146
CID 134506983
US11078186, Example 101
CID 149054054
US11078186, Example 69
CID 153313894
N-Dodecyl-N'-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456844
US11078186, Example 140
CID 148934598
US11078186, Example 143
CID 153088546
1-dodecyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456823
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 47081485
1-[2-(2-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 51094201

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea (CID 99104019) is 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea is C[C@](O)(CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is CYRUCJHILDRSQP-YCPHGPKFSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-16(24,12-6-3-2-4-7-12)11-21-15(23)22-14-9-5-8-13(10-14)17(18,19)20/h2-4,6-7,13-14,24H,5,8-11H2,1H3,(H2,21,22,23)/t13-,14+,16+/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 344.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 99104019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).