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

C17H23F3N2O2 — CID 96548921

IUPAC1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-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-/m0/s1
InChIKeyCYRUCJHILDRSQP-DZKIICNBSA-N
MW344.38 g/mol
LogP3.31
Rot. Bonds4

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

1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 96548921) 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,3S)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID96548921
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-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-/m0/s1
InChIKeyCYRUCJHILDRSQP-DZKIICNBSA-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,3S)-3-(trifluoromethyl)cyclohexyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea (CID 96548921) is 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-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,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is CYRUCJHILDRSQP-DZKIICNBSA-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-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[(1S,3S)-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,3S)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 96548921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).