1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

C17H23F3N2O2 — CID 111486817

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)14-6-4-12(5-7-14)8-9-21-16(24)22-11-13-2-1-3-15(23)10-13/h4-7,13,15,23H,1-3,8-11H2,(H2,21,22,24)
InChIKeyZTYVJJGWLDBNCM-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.10
Rot. Bonds5

About 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 111486817) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID111486817
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)14-6-4-12(5-7-14)8-9-21-16(24)22-11-13-2-1-3-15(23)10-13/h4-7,13,15,23H,1-3,8-11H2,(H2,21,22,24)
InChIKeyZTYVJJGWLDBNCM-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 111503910
N-[(3-hydroxycyclohexyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 111460408
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504670
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 98405028
1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea
CID 99858814
N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111459667
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1R,3R)-3-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 94855250
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858704
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504897

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 111486817) is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is O=C(NCCc1ccc(C(F)(F)F)cc1)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is ZTYVJJGWLDBNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c18-17(19,20)14-6-4-12(5-7-14)8-9-21-16(24)22-11-13-2-1-3-15(23)10-13/h4-7,13,15,23H,1-3,8-11H2,(H2,21,22,24).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 344.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 111486817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).