1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea

C16H21F3N2O2 — CID 111475461

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(NCC1(O)CCCCC1)Nc1ccccc1CC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)10-12-6-2-3-7-13(12)21-14(22)20-11-15(23)8-4-1-5-9-15/h2-3,6-7,23H,1,4-5,8-11H2,(H2,20,21,22)
InChIKeyQOZUEDHZGSAQCT-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.61
Rot. Bonds4

About 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 111475461) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID111475461
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(NCC1(O)CCCCC1)Nc1ccccc1CC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)10-12-6-2-3-7-13(12)21-14(22)20-11-15(23)8-4-1-5-9-15/h2-3,6-7,23H,1,4-5,8-11H2,(H2,20,21,22)
InChIKeyQOZUEDHZGSAQCT-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-[(2-ethylanilino)methyl]cyclohexan-1-ol
CID 60901849
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 60899190
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea (CID 111475461) is 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea is O=C(NCC1(O)CCCCC1)Nc1ccccc1CC(F)(F)F.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is QOZUEDHZGSAQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)10-12-6-2-3-7-13(12)21-14(22)20-11-15(23)8-4-1-5-9-15/h2-3,6-7,23H,1,4-5,8-11H2,(H2,20,21,22).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 330.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 111475461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).