1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea

C17H17F3N2O2 — CID 121112096

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H17F3N2O2/c1-16(24,12-5-3-2-4-6-12)11-21-15(23)22-14-9-7-13(8-10-14)17(18,19)20/h2-10,24H,11H2,1H3,(H2,21,22,23)
InChIKeyPIZOPEZLBKANFJ-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 121112096) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID121112096
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H17F3N2O2/c1-16(24,12-5-3-2-4-6-12)11-21-15(23)22-14-9-7-13(8-10-14)17(18,19)20/h2-10,24H,11H2,1H3,(H2,21,22,23)
InChIKeyPIZOPEZLBKANFJ-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)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-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90499492
1-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95981164
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335624
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 121112096) is 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea is CC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PIZOPEZLBKANFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-16(24,12-5-3-2-4-6-12)11-21-15(23)22-14-9-7-13(8-10-14)17(18,19)20/h2-10,24H,11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 121112096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).